data_1x5d_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 1x5d _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 29.8 t70 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t -77.73 121.16 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -98.98 128.92 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -91.56 121.56 33.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.3 mt -117.75 151.99 36.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.0 p -100.87 -175.53 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -79.63 -7.25 58.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -110.87 -53.8 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' LYS . 4.1 p -65.02 -33.03 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -40.88 -39.88 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -82.4 -28.89 31.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' SER . 10.9 mmtp -81.78 -8.56 59.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -105.46 -41.07 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.452 HG21 ' CG ' ' A' ' 28' ' ' TRP . 75.8 t -84.85 -65.33 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.85 -30.22 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -81.92 8.36 10.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.3 t -137.03 139.71 41.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -92.51 34.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -123.26 157.81 32.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -71.18 125.11 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 49.5 m95 -117.43 111.55 19.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.8 mtt -85.3 99.76 11.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.73 119.07 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -118.4 121.8 41.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.42 ' C ' ' OE2' ' A' ' 31' ' ' GLU . 26.8 m-85 -96.6 126.19 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -129.62 165.62 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.66 132.42 24.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.561 0.696 . . . . 0.0 111.138 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.12 9.63 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.744 2.296 . . . . 0.0 112.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -125.7 23.23 7.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.5 t -124.39 136.36 54.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' CYS . . . -75.71 -55.61 4.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -40.33 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 38' ' ' GLY . 62.3 m -88.99 -47.7 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -32.37 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -75.97 -23.42 55.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 44' ' ' GLU . 10.4 tp -90.29 -24.61 20.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.4 tp10 -35.13 -59.74 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.7 -38.33 8.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.39 -37.27 72.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -75.83 -43.53 45.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.2 -55.77 21.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.93 67.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.62 -48.34 39.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.31 -46.07 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -69.36 -49.62 53.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.85 -25.11 66.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.7 t -87.67 -43.71 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -64.31 -36.56 84.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -75.37 -34.33 61.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 26.4 mt-30 -79.6 -32.16 41.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.461 HG23 ' CG2' ' A' ' 62' ' ' VAL . 42.6 p -95.92 -0.1 51.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 27.83 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.41 -18.36 57.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -50.35 -57.35 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.461 ' CG2' HG23 ' A' ' 58' ' ' THR . 36.7 t -95.68 102.64 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 3.3 mtpm? -95.35 156.72 16.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mp -123.28 129.31 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.19 166.75 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.35 148.02 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 68' ' ' ASP . 45.2 t -136.17 152.74 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.447 ' N ' HG12 ' A' ' 67' ' ' VAL . 1.7 m-20 -101.81 98.67 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.53 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -53.34 -16.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.2 p -76.08 -28.28 57.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.6 t -107.27 -28.21 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -92.19 111.32 22.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -108.19 -39.08 5.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.8 t -53.15 -49.39 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.421 HD11 ' CD2' ' A' ' 17' ' ' PHE . 21.3 mt -75.6 -56.57 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -43.03 -41.96 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t -75.05 -40.74 60.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -45.09 -51.0 10.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -105.01 -22.25 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 88.38 79.89 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.1 mm -104.92 103.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.112 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -124.21 -19.96 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.84 95.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.53 ' CZ ' ' HB1' ' A' ' 69' ' ' ALA . 1.2 m-85 -96.07 154.02 38.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 0.0 110.875 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.8 155.68 93.25 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.343 0.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.4 m -134.09 102.17 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 48.8 mt -90.43 124.55 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -132.05 137.78 47.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.476 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -106.69 144.71 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.449 ' N ' HG22 ' A' ' 89' ' ' ILE . 66.5 m-85 -131.14 126.36 35.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -122.3 112.38 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -50.09 113.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.77 -47.61 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -115.58 159.9 20.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.0 p -61.2 146.97 87.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.24 57.64 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.74 2.293 . . . . 0.0 112.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.476 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 16.3 m -114.19 163.27 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -107.99 113.91 27.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.47 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 24.0 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' ARG . 64.8 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.783 0.325 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' THR . 18.5 ptt180 -34.47 -37.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' THR . 57.7 m -53.71 -50.05 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.7 m-20 -79.01 -51.21 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.1 mt -46.54 -44.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.415 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 78.1 t -69.49 -46.79 75.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.5 t -46.38 -43.02 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -68.0 -56.95 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.65 -38.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.05 -46.29 74.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -51.32 -26.04 6.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 118' ' ' ASP . 38.9 mt -93.81 -45.84 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 115' ' ' LEU . 38.8 t80 -34.47 -50.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.6 t -59.84 -45.51 92.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.7 OUTLIER -48.66 -57.33 6.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.916 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.7 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 55.5 t -68.98 132.25 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.4 mt -102.78 132.77 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.41 125.55 38.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD23 ' CB ' ' A' ' 20' ' ' ASN . 15.5 mt -117.45 159.95 21.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 82.8 p -118.75 -175.68 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.34 -29.67 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -100.44 -30.83 11.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 m -92.81 16.62 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -101.29 -25.44 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -92.55 -54.18 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -64.07 -6.53 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.406 ' CB ' HD23 ' A' ' 12' ' ' LEU . 10.4 m-80 -104.29 -32.85 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -97.34 -63.43 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' ' NZ ' ' A' ' 92' ' ' LYS . 5.8 mt -56.43 -55.99 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.21 -13.41 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -107.82 137.99 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -86.16 -4.53 59.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.39 153.13 21.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -71.28 132.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -121.38 117.85 27.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.5 mtt -93.46 104.52 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.35 124.26 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -123.84 103.78 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -77.41 127.94 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 1.9 p90 -141.37 163.27 33.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . . . -122.34 139.35 30.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.42 18.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.457 ' CD2' ' HB2' ' A' ' 34' ' ' ALA . 2.3 p-90 -114.37 0.52 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 t -93.2 118.53 31.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.86 -28.86 64.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -69.63 -20.85 63.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' LEU . 89.7 m -96.24 -41.44 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -47.0 -31.05 2.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -73.7 -31.1 63.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.7 tp -83.5 -21.22 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.2 tt0 -37.65 -58.67 1.26 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.593 0.711 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.72 -42.3 3.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -55.36 -34.55 64.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.42 ' CZ3' HG23 ' A' ' 108' ' ' ILE . 64.1 t-105 -78.49 -41.18 33.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -55.05 -47.53 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.21 -51.76 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.16 -40.8 5.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.44 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -68.91 -29.5 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -79.5 -23.15 43.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.9 t -88.08 -42.72 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.7 pttm -69.72 -16.61 63.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -90.75 -35.97 14.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.416 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 36.1 mt-30 -84.62 -37.66 20.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.551 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 25.8 p -88.74 21.61 2.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp 53.39 31.13 11.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 74.35 18.1 79.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.489 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -77.56 -60.57 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.8 t -82.04 112.54 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -97.32 148.3 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mp -114.07 122.96 48.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -123.21 161.54 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.13 151.44 49.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.3 t -140.51 153.45 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -106.45 106.96 17.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.463 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -53.32 -15.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.1 p -76.99 -28.7 55.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.93 -31.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -89.46 109.9 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -108.64 -35.47 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.62 -41.65 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 17' ' ' PHE . 16.8 mt -80.36 -51.18 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.33 -25.67 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 t -90.27 -32.23 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -62.46 -41.5 98.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -108.76 -22.28 12.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.84 49.19 3.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.0 mm -74.24 103.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -126.52 -27.13 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.57 98.74 1.9 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -99.93 154.02 37.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.75 163.0 82.93 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.343 -0.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -138.14 105.66 5.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.8 mt -97.63 115.19 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -127.88 134.48 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 99' ' ' TYR . 4.4 mp -103.56 134.62 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 91.4 m-85 -122.73 122.18 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -105.76 156.61 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 22' ' ' LEU . 6.1 tptt -71.63 117.47 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.35 -39.1 2.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.47 156.55 32.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -74.76 143.46 78.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 0.0 110.817 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.543 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.0 Cg_endo -69.72 153.81 68.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.67 175.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.88 108.34 13.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.438 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 41.9 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 106' ' ' SER . 60.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.776 0.322 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.461 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 20.9 ptt180 -35.87 -33.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' THR . 26.1 m -56.71 -58.9 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.45 -56.15 16.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.42 HG23 ' CZ3' ' A' ' 47' ' ' TRP . 32.4 mt -43.83 -42.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 105' ' ' ARG . 89.6 t -72.12 -46.31 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.5 t -49.6 -46.13 48.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -56.33 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.61 -35.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.59 -46.3 83.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -53.41 -45.0 69.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.87 -39.67 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 10.8 t80 -42.2 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -48.06 -56.66 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -44.13 -43.28 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 2.4 t -61.62 114.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -92.12 151.51 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -113.76 129.25 56.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -115.16 169.18 9.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 m -126.69 161.88 27.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -43.21 -44.9 5.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -95.12 -13.19 25.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -104.82 15.8 27.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.529 ' CD2' HD11 ' A' ' 75' ' ' LEU . 2.0 t80 -90.21 -35.5 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -86.21 -50.83 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.22 -14.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.455 ' O ' ' NE1' ' A' ' 28' ' ' TRP . 6.9 m-80 -105.7 -26.97 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.503 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 52.4 t -103.04 -63.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' O ' ' CE ' ' A' ' 92' ' ' LYS . 16.3 mt -59.48 -59.78 4.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -14.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -105.7 127.87 53.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -74.83 -4.12 35.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.95 156.23 19.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.529 ' CG2' ' CG ' ' A' ' 119' ' ' ASN . 54.2 t -76.02 130.91 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 42.7 m95 -119.47 120.2 36.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 mtp -94.79 105.18 17.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.532 HG11 ' CE1' ' A' ' 32' ' ' PHE . 99.3 t -90.76 129.82 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -126.52 100.76 6.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.532 ' CE1' HG11 ' A' ' 30' ' ' VAL . 58.3 m-85 -74.59 112.34 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.1 p90 -116.73 168.02 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.01 132.52 24.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 70' ' ' THR . 53.5 Cg_endo -69.74 -3.96 13.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 -126.08 10.11 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.2 t -103.28 141.98 34.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -73.23 -57.95 4.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.45 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . 51.3 m-70 -36.35 -40.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -66.16 -57.2 8.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -40.39 -37.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -84.11 -29.86 26.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' CYS . 43.0 tp -79.63 -16.78 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 tt0 -50.68 -58.62 9.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.76 -25.34 28.69 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -75.77 -30.63 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -82.71 -37.61 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -60.25 -47.18 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.77 -47.66 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.47 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.81 87.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -72.63 -34.09 67.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.65 -27.48 60.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -83.46 -36.84 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -74.36 -18.76 60.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -89.47 -29.31 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.508 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 30.5 mt-30 -91.97 -27.65 17.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.3 p -102.9 8.93 39.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.18 34.58 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.73 -6.18 66.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -53.86 -63.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.7 t -83.19 110.52 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 32.1 mttp -93.71 157.62 16.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -129.01 121.8 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.61 171.76 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' C ' HG21 ' A' ' 67' ' ' VAL . . . -132.09 155.77 47.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.405 HG21 ' C ' ' A' ' 66' ' ' ALA . 67.0 t -140.84 130.78 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.0 104.5 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . . . -60.96 -9.51 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 35.8 p -84.15 -25.26 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.143 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.64 -21.49 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -96.9 112.78 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -114.65 -35.47 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.49 -38.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.529 HD11 ' CD2' ' A' ' 17' ' ' PHE . 13.2 mt -90.25 -52.41 4.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.23 -40.7 34.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.5 t -76.37 -20.86 56.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.473 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 47.0 ttt-85 -69.79 -44.4 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.473 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 10.7 m-85 -103.56 -19.06 14.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.9 38.17 7.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.68 102.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -123.66 -31.21 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.11 101.4 2.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -98.69 153.97 37.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.909 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.76 164.16 79.97 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.381 0.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -141.52 105.25 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.7 mt -95.19 122.92 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -130.87 136.55 48.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 90' ' ' PHE . 4.1 mp -105.4 137.39 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 79.0 m-85 -127.09 128.34 46.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -125.86 129.46 49.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.461 ' CE ' ' O ' ' A' ' 22' ' ' LEU . 17.4 tptp -56.7 127.07 29.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.48 -48.54 1.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.442 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -92.29 156.95 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 64.1 p -74.04 148.61 86.87 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.1 Cg_endo -69.71 146.11 59.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.87 172.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -111.91 114.29 27.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.451 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 19.4 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 106' ' ' SER . 74.4 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 104' ' ' THR . 25.6 ptt-85 -35.4 -33.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' THR . 2.5 t -57.08 -57.66 11.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -68.21 -54.26 19.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.8 mt -44.01 -37.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.508 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 54.9 t -76.5 -46.72 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.9 t -46.31 -45.68 17.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 114' ' ' ASP . 12.8 tpp180 -62.47 -62.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -34.12 -39.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.2 mt -68.52 -48.42 64.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 111' ' ' ARG . 1.6 m-20 -48.39 -34.7 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 mt -87.57 -45.64 10.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.431 ' O ' ' C ' ' A' ' 117' ' ' SER . 16.5 t80 -44.29 -55.38 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' PHE . 68.5 m -34.48 -45.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 119' ' ' ASN . 15.9 t70 -84.81 -67.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.529 ' CG ' ' CG2' ' A' ' 27' ' ' VAL . 38.6 m-80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.9 129.39 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.472 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 28.9 mt -96.03 135.88 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -99.57 128.31 45.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.1 mt -121.23 163.51 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -126.81 178.69 5.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -58.94 -22.51 60.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.55 -23.73 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -99.98 17.35 21.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -100.38 -30.7 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -52.75 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -62.46 -8.99 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -105.72 -26.09 11.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.7 t -101.71 -57.35 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.41 -30.0 71.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -76.87 6.89 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -134.68 138.72 44.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -88.56 25.63 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.18 158.08 21.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.9 t -71.88 129.21 35.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.472 ' CZ3' HD11 ' A' ' 10' ' ' ILE . 40.8 m95 -118.96 111.32 18.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.62 112.46 21.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.481 HG11 ' CE1' ' A' ' 32' ' ' PHE . 58.5 t -101.12 110.61 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 86' ' ' THR . 4.7 tp10 -109.29 104.62 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.481 ' CE1' HG11 ' A' ' 30' ' ' VAL . 55.4 m-85 -74.62 124.73 27.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.566 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 1.5 p90 -135.67 162.73 31.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.09 138.64 30.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.636 0.731 . . . . 0.0 111.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -14.53 36.19 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.311 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -110.63 7.37 22.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -103.42 127.11 50.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.26 -56.69 23.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.464 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . 24.2 m80 -38.83 -41.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -67.1 -52.96 35.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -45.55 -44.41 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -76.5 -29.26 56.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -79.6 -19.35 49.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.509 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tt0 -41.87 -58.42 3.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.683 0.754 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.75 -43.76 2.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.55 -31.49 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -87.08 -32.76 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.72 -50.23 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.4 76.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.31 -43.05 61.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -38.47 70.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -78.01 -41.8 34.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.29 -24.84 65.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t -85.35 -48.13 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -65.0 -20.9 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.14 -30.17 22.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -89.83 -26.58 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.523 ' HA ' ' CE1' ' A' ' 116' ' ' PHE . 48.1 p -99.26 5.15 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 61.84 27.42 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.16 -13.81 66.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 119' ' ' ASN . 0.1 OUTLIER -50.54 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.454 ' CG2' HG23 ' A' ' 58' ' ' THR . 42.1 t -79.97 106.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HE2' ' CZ2' ' A' ' 28' ' ' TRP . 17.0 mtpp -95.55 154.45 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -122.93 121.78 36.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.6 152.98 45.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.71 156.55 25.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 68' ' ' ASP . 95.1 t -143.97 137.9 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 67' ' ' VAL . 53.5 t0 -89.08 106.57 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.31 -11.78 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.4 p -84.67 -20.85 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.7 t -110.79 -35.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -90.15 109.36 20.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -106.87 -39.44 5.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.5 t -54.85 -40.98 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD11 ' CD2' ' A' ' 17' ' ' PHE . 5.4 mt -83.24 -48.83 10.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.89 -40.89 44.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.3 t -78.11 -39.06 42.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -49.43 -51.94 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -100.52 -18.86 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.43 80.74 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.2 mm -109.11 107.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -124.8 -24.89 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.32 98.5 1.37 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -98.22 154.19 37.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.861 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.71 162.23 84.42 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.357 -0.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.442 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 2.5 m -138.16 108.08 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 mt -98.43 121.7 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -133.22 130.11 38.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.483 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 3.6 mp -92.09 140.24 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -125.59 106.61 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -93.81 163.72 13.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -92.08 110.28 21.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.61 -43.61 1.66 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -98.35 158.5 15.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 p -68.24 151.08 97.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.7 57.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.483 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 15.6 m -103.5 172.81 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -113.25 112.02 23.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.3 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.809 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 106' ' ' SER . 44.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.811 0.339 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 104' ' ' THR . 28.9 ptt180 -34.63 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 104' ' ' THR . 4.8 t -56.1 -57.63 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -70.82 -51.67 25.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.6 mt -47.37 -37.85 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 36.0 t -78.77 -47.22 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 t -49.07 -34.27 13.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -74.32 -51.64 14.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.81 -37.35 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.47 -53.38 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -43.93 -35.89 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.0 mt -88.24 -42.07 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.523 ' CE1' ' HA ' ' A' ' 58' ' ' THR . 22.5 t80 -42.79 -35.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.3 t -74.35 -50.33 19.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -44.02 -46.57 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 41.1 t -78.98 125.85 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.4 mt -97.1 143.24 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -101.93 136.72 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -120.98 173.63 7.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.85 173.23 10.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -65.57 -12.24 51.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -116.91 -44.14 2.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -72.23 -23.13 61.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.515 ' CD2' HD12 ' A' ' 75' ' ' LEU . 1.3 t80 -44.41 -40.84 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -36.54 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 22.4 mmmt -63.61 -18.07 63.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -105.89 -34.83 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.0 t -83.63 -64.93 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.49 -37.35 78.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 19' ' ' LYS . 31.1 t0 -65.95 -4.81 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -125.81 134.45 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -84.59 28.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -118.48 158.03 26.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.532 ' CG2' ' ND2' ' A' ' 119' ' ' ASN . 39.7 t -71.0 126.5 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -116.31 111.12 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 mtp -82.86 102.02 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.468 HG22 ' CE1' ' A' ' 90' ' ' PHE . 20.6 t -91.9 122.5 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -120.73 127.66 52.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -98.69 122.2 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 4.6 p90 -129.98 169.92 14.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.12 130.71 24.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.523 0.678 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.68 19.17 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -121.99 16.28 10.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.2 t -117.0 123.91 48.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.33 -34.59 85.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -54.14 -20.37 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -95.68 -51.5 4.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -42.41 -29.56 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.33 -29.53 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' CYS . 9.9 tp -80.51 -23.99 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tp10 -35.94 -59.98 0.72 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.693 0.759 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.2 Cg_endo -69.78 -38.79 7.28 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.319 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.35 -31.68 67.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -85.05 -38.45 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -58.89 -57.61 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.68 -52.23 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' O ' ' CG2' ' A' ' 54' ' ' VAL . . . -47.99 -38.52 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.1 86.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -68.09 -42.6 80.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' CG ' HG13 ' A' ' 109' ' ' VAL . 8.6 tp10 -66.0 -31.26 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 50' ' ' ALA . 97.6 t -80.67 -39.19 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -68.44 -34.3 75.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.93 -30.51 61.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.423 ' CD ' HD22 ' A' ' 113' ' ' LEU . 31.8 mt-30 -84.38 -56.22 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.556 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 19.9 p -73.8 3.93 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm 62.1 31.23 17.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.02 -11.59 66.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -68.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.3 t -77.87 103.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -88.96 152.15 21.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.48 125.29 47.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.88 164.34 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.26 161.02 27.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.7 t -143.31 141.85 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.0 103.17 15.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.83 -12.05 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.0 p -83.95 -14.39 51.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.4 t -119.33 -35.93 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -86.98 109.51 19.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -106.1 -39.24 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -53.59 -50.34 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 17' ' ' PHE . 12.0 mt -73.28 -50.11 23.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.05 -35.1 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -84.33 -26.66 28.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.452 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 18.2 ttt85 -64.08 -41.78 97.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.452 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 39.6 m-85 -111.24 -22.52 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.33 75.13 1.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.1 mm -99.87 102.23 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -124.86 -29.11 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.38 101.18 1.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -98.95 153.91 37.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.901 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.4 Cg_endo -69.85 163.95 80.73 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.346 0.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.3 m -140.87 106.55 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 mt -97.0 126.8 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -132.24 139.89 48.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.465 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.8 mp -106.9 137.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.468 ' CE1' HG22 ' A' ' 30' ' ' VAL . 3.1 m-85 -126.69 134.32 50.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -132.45 128.76 38.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -50.15 145.24 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.88 12.98 16.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -139.93 161.32 37.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.5 p -86.73 146.36 41.08 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 141.66 45.76 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.465 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 6.6 m -108.51 161.11 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 1.6 p-10 -103.65 111.7 24.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.858 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -38.6 -35.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.2 m -53.42 -57.94 8.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -72.68 -52.16 16.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.7 mt -43.7 -39.27 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.42 HG13 ' CG ' ' A' ' 53' ' ' GLU . 41.5 t -76.75 -48.05 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.8 t -48.11 -42.82 30.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -63.84 -62.5 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.05 -32.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.423 HD22 ' CD ' ' A' ' 57' ' ' GLN . 87.2 mt -67.93 -48.17 66.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -51.09 -40.62 58.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.44 -47.96 18.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.556 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 29.5 t80 -45.64 -38.2 6.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.9 p -52.94 -42.08 65.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -80.53 -57.87 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.532 ' ND2' ' CG2' ' A' ' 27' ' ' VAL . 17.8 m-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 27.2 t70 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.348 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 t -78.91 127.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 11' ' ' GLU . 77.5 mt -103.12 144.04 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' N ' HG21 ' A' ' 10' ' ' ILE . 11.8 tt0 -104.3 120.57 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.2 mt -104.6 172.98 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -129.73 170.11 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -55.72 -27.03 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -109.2 -43.98 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -59.61 -34.07 72.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -50.79 -19.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -86.19 -56.06 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -71.65 -3.05 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.518 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 4.1 m-80 -104.85 -33.26 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.1 t -104.54 -60.08 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.81 -56.56 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.38 -10.31 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -107.22 107.76 18.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -56.54 -15.13 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.85 158.06 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.9 t -75.36 137.64 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.518 ' CE2' ' O ' ' A' ' 20' ' ' ASN . 24.7 m95 -124.69 117.71 24.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.7 mtp -94.23 104.73 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.9 t -90.15 127.55 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.551 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 6.4 tp10 -123.19 98.01 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -70.56 125.85 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 4.7 p90 -133.9 166.86 21.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.18 130.33 24.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -11.26 30.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -115.76 17.39 16.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 t -121.65 138.66 54.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' CYS . . . -68.25 -48.0 55.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -43.47 -22.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.443 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.5 OUTLIER -91.39 -47.93 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -50.8 -33.14 22.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.26 -25.84 29.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.0 tp -82.12 -19.13 40.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 5.0 tp10 -41.87 -60.26 2.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.7 -37.63 9.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.382 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -60.48 -32.51 71.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.551 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 52.8 t-105 -86.76 -41.21 14.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.91 -53.78 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -50.29 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.69 -53.36 7.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.89 -39.58 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -73.3 -35.23 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -77.86 -24.04 48.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.477 ' O ' ' CG2' ' A' ' 58' ' ' THR . 55.2 t -80.3 -41.48 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -74.68 -25.26 59.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.08 -25.0 43.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.466 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 32.5 mt-30 -98.86 -37.58 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.484 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 9.1 p -86.15 11.26 12.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt 60.77 25.13 14.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.79 -1.55 85.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -61.21 -74.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.7 t -70.12 108.61 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -95.09 154.33 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -121.12 120.23 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.93 165.0 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.98 154.61 42.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.4 t -135.3 138.5 48.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -90.6 94.66 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.51 -15.49 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.7 p -76.44 -27.5 56.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.7 -38.33 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.2 108.88 16.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -105.67 -37.58 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.32 -47.48 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.72 -56.58 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.76 -44.91 28.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.8 t -72.59 -26.68 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -67.41 -43.86 80.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -101.7 -15.64 16.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 78.69 53.83 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.6 mm -84.97 102.87 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.68 -23.09 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.11 102.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.528 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -101.04 153.98 37.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.79 166.09 75.05 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.304 0.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.0 m -141.88 106.87 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.3 mt -98.04 113.2 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -123.99 143.58 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -106.02 143.96 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.485 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 29.0 m-85 -133.53 131.31 39.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -123.21 162.36 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.93 139.19 37.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 60.72 15.88 43.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -136.79 176.43 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.377 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -100.48 150.32 36.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.686 0.755 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.485 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.4 Cg_endo -69.82 146.11 58.83 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.0 m -119.63 166.38 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.17 117.35 32.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.448 ' HH ' ' N ' ' A' ' 108' ' ' ILE . 75.3 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ARG . 24.6 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.778 0.323 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' THR . 22.3 ptt180 -37.09 -37.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.6 m -55.34 -55.58 29.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -70.72 -54.02 13.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.503 HG23 ' CZ3' ' A' ' 47' ' ' TRP . 49.4 mt -45.22 -43.09 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.466 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 78.6 t -77.64 -47.27 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.0 t -47.99 -35.03 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -47.32 16.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.99 -40.25 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.66 -40.69 79.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.5 -41.82 77.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.6 -33.79 62.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.484 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 46.3 t80 -48.62 -67.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' ASP . 71.2 m -49.4 -52.99 24.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' SER . 5.3 m-20 -36.28 -45.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -68.03 142.63 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.406 ' CD1' ' NZ ' ' A' ' 63' ' ' LYS . 77.7 mt -113.38 135.74 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -97.54 128.62 44.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 mt -119.78 166.16 13.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' PHE . 10.5 m -128.43 166.55 18.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.191 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -46.19 -35.92 5.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -100.43 -31.46 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.2 t -89.22 15.24 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.62 -29.31 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.6 -44.6 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -72.77 -6.92 47.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -103.39 -33.0 9.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -99.73 -57.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.86 -35.46 74.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.87 0.52 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 t -125.48 142.2 51.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -94.23 30.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.41 157.79 25.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.4 t -71.67 123.37 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 49.4 m95 -114.19 111.11 21.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.3 mtp -88.02 99.05 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.1 t -89.77 119.84 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' CD ' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -115.1 106.52 14.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -77.52 135.53 38.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.6 p90 -144.01 163.95 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -122.11 138.15 28.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.96 22.38 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -120.58 19.94 11.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.7 t -116.29 121.5 42.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.68 -43.88 73.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -51.57 -19.25 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 67.3 m -96.11 -47.1 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -48.36 -33.1 8.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -76.66 -27.55 55.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 tp -84.74 -19.99 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.509 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 tt0 -38.73 -58.57 1.61 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.611 0.719 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.78 -32.14 19.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -66.91 -28.01 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -87.23 -39.39 15.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.91 -60.84 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.1 -53.84 37.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' CB ' ' HA ' ' A' ' 105' ' ' ARG . . . -44.69 -52.8 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.54 -33.35 6.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -80.39 -46.2 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -67.02 -22.11 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -86.27 -43.45 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -68.99 -21.79 64.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -82.87 -40.96 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.564 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 36.6 mt-30 -78.62 -43.7 25.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 p -82.41 9.84 8.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt 56.43 26.16 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.49 -7.68 79.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -52.34 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 t -82.61 104.9 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 3.2 mtpm? -91.46 154.99 18.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mp -121.4 129.85 53.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.93 162.99 31.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.45 168.95 12.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.3 t -154.51 139.72 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.02 99.83 12.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.5 -18.06 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 64.3 p -71.55 -27.51 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.2 t -110.04 -29.03 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -88.33 107.27 18.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -108.49 -33.35 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.3 -39.98 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.484 HD12 ' CD2' ' A' ' 17' ' ' PHE . 11.3 mt -85.84 -55.14 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.99 -27.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -85.01 -39.7 17.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.0 ttt-85 -54.19 -47.99 71.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 88' ' ' LYS . 2.8 m-85 -100.34 -21.54 15.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.76 40.09 8.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.9 mm -64.53 104.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.777 0.322 . . . . 0.0 111.166 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -129.57 -30.46 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.84 93.81 1.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -94.18 153.99 40.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.76 153.65 93.03 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.374 0.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 32.2 m -132.35 123.86 27.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.1 mt -116.87 134.56 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 79' ' ' TYR . 15.3 mmtp -140.22 136.23 33.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 99' ' ' TYR . 4.0 mp -101.56 134.04 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.428 ' N ' HG21 ' A' ' 89' ' ' ILE . 84.1 m-85 -118.95 114.52 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -110.67 115.84 30.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -56.95 111.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.92 -46.27 1.09 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -120.87 171.25 8.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 p -61.2 155.48 56.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 176.2 7.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 98' ' ' ASP . 39.8 t -131.16 160.48 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.533 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 6.0 p-10 -116.09 105.73 12.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 49.8 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 107' ' ' ASP . 74.7 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.795 0.331 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.476 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 19.1 ptt180 -37.81 -33.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.4 m -69.42 -45.12 69.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.3 m-20 -78.57 -52.26 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.3 mt -48.62 -46.76 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.564 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 76.3 t -64.7 -46.27 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -56.34 -26.63 53.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -85.62 -58.47 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.01 -42.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.0 mt -57.72 -47.75 81.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -44.63 -46.89 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.64 -46.22 55.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -39.37 -55.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.2 p -54.0 -41.31 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -58.67 -64.2 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.4 t -57.43 110.33 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.5 mt -91.7 141.43 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.174 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -103.24 137.21 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -120.4 163.12 18.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 m -125.55 164.46 20.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.74 -38.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -101.58 -20.16 15.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -95.63 16.01 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 1.9 t80 -96.39 -34.5 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -91.2 -53.31 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -55.23 -15.27 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.465 ' ND2' ' HD2' ' A' ' 19' ' ' LYS . 45.4 m-80 -103.45 -24.3 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' CB ' ' A' ' 28' ' ' TRP . 80.7 t -104.48 -63.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.53 -48.07 83.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -76.98 7.69 4.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -122.79 129.19 51.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.46 34.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.466 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -125.31 158.26 34.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -81.0 123.28 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CB ' HG23 ' A' ' 21' ' ' VAL . 72.3 m95 -114.19 116.12 28.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.3 mtp -94.01 99.07 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.2 t -82.57 125.78 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.511 ' OE2' ' CE3' ' A' ' 47' ' ' TRP . 7.8 tt0 -123.32 92.48 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -63.53 128.65 36.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.535 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 2.3 p90 -140.11 164.35 30.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.04 135.97 26.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -12.88 33.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -114.91 13.2 17.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.9 t -111.09 108.52 18.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.69 -48.58 7.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -41.25 -50.69 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.535 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 1.4 t -56.56 -55.55 32.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -43.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -75.28 -28.57 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.499 ' CD2' ' OE2' ' A' ' 31' ' ' GLU . 50.3 tp -80.45 -22.17 41.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.3 tt0 -45.92 -59.5 4.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.684 0.754 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.78 -30.99 21.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.82 -28.4 66.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.511 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 53.1 t-105 -89.39 -40.96 12.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.53 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.63 75.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.19 -45.03 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -45.16 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -70.57 -34.4 72.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -76.17 -24.54 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.7 t -85.1 -38.75 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -73.04 -30.83 64.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -75.92 -29.53 58.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -89.47 -41.9 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.488 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 39.8 p -84.23 21.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 47.71 29.41 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.11 28.81 55.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' O ' ' OD2' ' A' ' 26' ' ' ASP . 25.7 tptt -92.27 -44.56 8.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.6 t -96.64 113.61 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -97.81 148.95 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.0 mp -117.32 119.35 34.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.28 164.85 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.97 149.53 52.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.3 t -140.87 149.89 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -102.16 111.01 23.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.47 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -61.02 -8.91 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -82.87 -29.3 29.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.5 p -107.5 -27.92 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -95.38 112.79 24.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -111.09 -40.36 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -53.67 -37.7 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.08 -47.92 9.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.478 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -50.09 -43.28 51.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -75.33 -42.52 54.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -43.58 -51.3 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -105.14 -22.7 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 88.98 81.91 1.3 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.454 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.3 mm -109.16 99.87 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 111.158 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -123.57 -19.73 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.17 98.13 1.07 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -96.56 153.88 38.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.726 . . . . 0.0 110.89 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.73 161.27 86.43 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.326 -0.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.84 112.69 8.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -106.14 124.98 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -136.0 139.16 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.469 ' HB ' ' CG1' ' A' ' 97' ' ' VAL . 5.1 mp -103.33 137.9 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 96' ' ' PRO . 97.9 m-85 -125.81 107.67 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.412 ' CD ' HG21 ' A' ' 89' ' ' ILE . 22.0 mp0 -93.96 128.97 40.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -61.0 115.81 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.411 ' N ' ' HD2' ' A' ' 92' ' ' LYS . . . 101.71 -38.9 2.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -96.42 176.45 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m -85.69 155.27 59.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.451 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.73 175.12 8.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.469 ' CG1' ' HB ' ' A' ' 89' ' ' ILE . 8.1 p -144.73 167.49 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -110.1 106.1 15.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.809 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ARG . 65.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.799 0.333 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' THR . 14.6 ptt85 -36.41 -37.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 m -49.82 -58.71 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -67.84 -54.56 18.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.8 mt -43.74 -40.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 82.9 t -73.27 -47.92 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.3 t -45.45 -47.15 13.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 114' ' ' ASP . 5.5 tpp85 -63.17 -59.55 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -36.89 -37.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.4 mt -70.56 -42.58 70.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 111' ' ' ARG . 7.4 m-20 -51.82 -38.67 56.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.9 mt -83.62 -38.79 21.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.488 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 31.3 t80 -53.99 -30.98 49.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.3 p -86.34 15.68 5.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.97 -30.94 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.902 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.428 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 10.4 t70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.16 119.68 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.8 mt -101.88 133.2 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -91.94 129.92 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.452 HD23 ' ND2' ' A' ' 20' ' ' ASN . 29.8 mt -112.21 177.32 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -133.4 173.15 11.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.14 -64.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -85.95 24.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 24.9 m -126.75 -29.99 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -50.45 -23.64 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -95.99 -19.21 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 6.9 ptmt -91.11 -11.72 37.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 16' ' ' SER . 2.9 p30 -106.29 -33.4 7.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.52 -66.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 mt -53.82 -46.93 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -54.18 -14.88 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -121.83 137.69 54.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.03 28.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.5 158.11 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.2 123.45 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -113.96 110.96 20.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.7 mtp -84.1 99.67 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.2 t -89.68 124.2 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' OE2' ' C ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -123.66 126.2 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -97.59 121.8 39.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 7.2 p90 -127.65 169.84 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.1 131.59 24.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -10.33 28.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -118.76 19.12 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.9 t -116.36 142.62 46.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -69.96 -57.66 6.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' GLY . 87.1 m-70 -34.42 -48.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.7 t -59.71 -56.11 25.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -40.93 -33.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -86.02 -30.64 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' CYS . 32.5 tp -80.15 -14.18 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.2 tt0 -53.41 -60.06 7.89 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.645 0.736 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.0 Cg_endo -69.76 -28.99 24.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.49 -38.61 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.493 ' CZ3' HG21 ' A' ' 108' ' ' ILE . 55.7 t-105 -77.17 -42.44 37.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.53 80.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.19 -54.73 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.18 -47.74 12.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 8' ' ' ASP . . . -47.47 -43.38 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -69.83 -45.59 67.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.14 -24.62 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.428 HG13 ' CB ' ' A' ' 112' ' ' ALA . 94.3 t -84.61 -39.99 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -65.25 -36.27 83.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.51 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 27.9 mt-30 -79.84 -35.94 37.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.552 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 30.4 p -96.98 1.41 50.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 61.95 29.75 17.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.45 -7.31 82.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -57.36 12.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.4 t -93.17 102.09 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -89.39 158.64 17.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mp -121.82 124.39 44.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.86 156.64 39.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.87 157.67 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.3 t -142.96 142.1 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.56 98.88 11.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.406 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -54.81 -14.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 p -76.09 -25.72 55.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.6 t -111.87 -36.97 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -82.29 108.4 15.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -107.56 -36.9 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.04 -41.32 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.43 -52.94 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.11 -43.37 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -73.18 -39.22 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -50.26 -49.38 53.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -100.96 -20.42 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 82.22 72.06 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mm -104.25 114.37 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -131.03 -31.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.25 94.83 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.528 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -93.82 154.65 40.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.89 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.73 160.86 87.24 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.383 -0.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.5 m -139.88 108.46 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 18.2 mt -98.69 124.22 51.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -131.81 131.37 42.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.4 mp -97.97 134.65 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 69.3 m-85 -118.16 129.42 55.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -119.01 139.04 52.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -63.88 111.37 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.98 -50.85 0.88 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -84.52 162.41 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.7 p -76.95 152.76 82.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.431 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.76 137.61 35.86 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.475 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 14.8 m -100.02 158.41 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.07 114.92 27.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.471 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 20.1 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 48.3 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -40.16 -39.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 t -50.14 -61.19 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.92 -55.51 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.493 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 25.5 mt -42.95 -43.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.51 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 72.2 t -70.94 -49.3 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.2 t -43.25 -47.21 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -60.86 -60.79 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.428 ' CB ' HG13 ' A' ' 54' ' ' VAL . . . -38.44 -34.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 57' ' ' GLN . 71.4 mt -69.36 -53.55 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -46.2 -36.97 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.7 mt -86.33 -42.84 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.552 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 12.7 t80 -43.94 -32.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -73.31 -47.02 46.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -47.95 -44.62 30.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.96 120.49 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -92.73 139.64 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -97.48 129.27 44.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 mt -123.78 162.46 23.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.3 p -119.03 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -63.3 -20.51 65.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -107.29 -49.86 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -60.39 -25.64 66.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.799 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -58.78 -15.78 13.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -90.54 -49.95 6.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.2 OUTLIER -73.67 -6.55 47.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.497 ' O ' ' NE1' ' A' ' 28' ' ' TRP . 8.2 m-80 -103.69 -31.37 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.6 t -104.96 -62.71 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.39 -61.44 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.417 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 11.1 t70 -56.32 -14.07 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 t -98.95 133.91 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -90.53 27.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -123.83 158.07 32.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.06 125.56 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.497 ' NE1' ' O ' ' A' ' 20' ' ' ASN . 47.5 m95 -117.26 117.65 30.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.64 113.7 25.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -102.16 111.64 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 8.7 tm-20 -108.25 93.1 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -62.7 117.07 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.431 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 2.8 p90 -124.63 164.63 19.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.24 135.09 25.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 0.0 111.129 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -10.3 28.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.393 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -120.02 17.08 12.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.0 t -114.2 114.01 25.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -46.92 -55.01 8.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 38' ' ' GLY . 28.4 m170 -34.64 -53.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -54.63 -56.73 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -43.01 -42.85 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -74.99 -25.44 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' CYS . 28.9 tp -86.34 -17.35 34.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.8 tt0 -42.3 -58.34 3.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.74 -41.08 4.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.39 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.57 -31.69 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.439 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 57.8 t-105 -88.03 -37.71 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.24 92.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.51 -47.31 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.63 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.7 84.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -75.76 -29.79 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -81.25 -23.19 38.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 64' ' ' LEU . 69.6 t -86.11 -41.01 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -73.2 -19.6 61.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -87.24 -28.86 22.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -91.69 -45.52 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 26.4 p -77.5 8.09 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 61.04 25.6 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.35 -8.61 79.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -69.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.5 t -78.33 105.85 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -94.98 146.97 23.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.407 ' CD1' HG11 ' A' ' 54' ' ' VAL . 8.1 mp -112.88 126.65 55.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.68 171.93 11.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.51 142.23 45.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.3 t -129.87 152.13 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.97 109.85 22.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.543 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -68.34 -2.64 8.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.9 p -89.33 -25.77 21.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -112.77 -25.74 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -94.21 111.73 23.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -111.05 -37.36 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.4 t -50.74 -42.95 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' A' ' 17' ' ' PHE . 12.2 mt -84.02 -49.99 8.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -46.77 -43.38 18.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 t -76.28 -45.0 34.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -42.59 -49.02 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -106.02 -21.79 13.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 85.7 82.84 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.3 mm -113.21 103.63 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -125.67 -14.68 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.06 96.03 0.83 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.656 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -98.82 154.89 37.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.8 154.03 93.27 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.33 0.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.0 m -134.83 117.34 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.413 ' C ' ' HG2' ' A' ' 88' ' ' LYS . 17.2 mt -109.25 131.08 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 87' ' ' ILE . 23.6 mmtt -141.81 136.35 30.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -93.54 144.03 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -132.06 120.74 22.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.448 ' CB ' ' HB2' ' A' ' 94' ' ' GLU . 38.4 mt-30 -108.75 154.73 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -67.74 99.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.96 -40.78 2.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 91' ' ' GLN . 16.0 mt-10 -67.73 170.36 8.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.41 144.58 43.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.9 47.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 98' ' ' ASP . 23.7 t -110.94 166.88 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 6.2 m-20 -119.72 82.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.835 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.84 0.352 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.409 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 22.5 ptt-85 -52.06 -32.39 34.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -62.32 -62.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.56 -56.55 18.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.1 mt -44.01 -42.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 105' ' ' ARG . 41.3 t -70.25 -51.02 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.8 t -44.59 -46.06 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ASP . 13.4 tpp180 -61.96 -62.04 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -35.47 -37.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.69 -47.94 61.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' ARG . 14.8 t70 -47.54 -36.31 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt -85.47 -46.37 10.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 117' ' ' SER . 20.9 t80 -49.43 -56.47 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 116' ' ' PHE . 22.2 t -34.52 -38.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.22 -61.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 47.5 t -88.07 100.82 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.4 mt -78.2 137.38 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -99.39 127.51 45.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.421 HD12 ' CB ' ' A' ' 65' ' ' ALA . 27.0 mt -120.31 166.16 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 39.9 p -132.7 172.55 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -45.92 -38.84 8.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.67 -39.08 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -84.0 17.44 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -100.88 -34.48 9.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.41 -54.64 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -12.98 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -104.04 -29.19 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.434 HG22 ' CB ' ' A' ' 28' ' ' TRP . 55.9 t -101.24 -65.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.068 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.9 mt -53.53 -45.84 69.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.2 7.81 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -120.97 110.99 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.05 -16.85 34.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.06 155.75 27.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.15 142.64 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.434 ' CB ' HG22 ' A' ' 21' ' ' VAL . 56.8 m95 -131.13 112.14 12.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.8 mtp -91.57 100.89 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.56 HG12 ' CE1' ' A' ' 32' ' ' PHE . 78.5 t -89.29 125.96 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.51 ' OE1' ' CE3' ' A' ' 47' ' ' TRP . 26.0 tt0 -121.13 109.1 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE1' HG12 ' A' ' 30' ' ' VAL . 47.5 m-85 -79.11 132.49 36.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 1.8 p90 -144.72 162.41 36.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.2 138.92 30.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 111.092 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.39 28.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.28 . . . . 0.0 112.341 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -114.78 21.59 14.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 t -123.05 120.46 33.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.3 -47.58 86.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -46.52 -20.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' LEU . 89.4 m -93.43 -51.04 5.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -44.22 -38.84 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -72.98 -29.8 63.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' CYS . 14.8 tp -83.29 -19.55 36.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.559 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.3 tp10 -44.21 -55.82 9.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.3 Cg_endo -69.72 -45.1 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.499 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -53.07 -44.69 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.51 ' CE3' ' OE1' ' A' ' 31' ' ' GLU . 65.7 t-105 -65.63 -43.33 89.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.435 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -56.01 -46.43 78.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.442 ' CB ' ' HD2' ' A' ' 105' ' ' ARG . . . -65.04 -46.59 80.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.72 -42.13 71.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.72 -50.52 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -66.18 -41.15 90.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -69.18 -23.23 63.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -84.57 -44.46 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 37.8 pttt -69.1 -24.71 64.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.76 -33.76 30.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.469 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 31.7 mt-30 -88.6 -28.48 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.7 p -100.13 19.49 16.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 51.61 25.94 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 80.0 22.48 63.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -79.6 -56.99 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.43 111.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -94.45 146.72 23.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.471 HD22 ' CE2' ' A' ' 47' ' ' TRP . 7.7 mp -113.97 124.72 52.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.421 ' CB ' HD12 ' A' ' 12' ' ' LEU . . . -122.36 162.46 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.143 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.78 146.48 50.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 68' ' ' ASP . 47.2 t -137.47 144.82 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.456 ' N ' HG12 ' A' ' 67' ' ' VAL . 11.2 t0 -102.91 103.26 13.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.95 -18.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.0 p -71.8 -31.99 67.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.85 -31.51 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -87.15 109.86 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -107.53 -38.18 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.39 -41.47 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 17' ' ' PHE . 14.4 mt -81.51 -57.46 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -43.08 -39.51 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -79.47 -41.97 26.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.507 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -56.57 -51.3 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.507 ' CZ ' ' HD2' ' A' ' 78' ' ' ARG . 30.0 m-85 -93.11 -21.14 19.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 83.5 45.43 6.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.9 mm -74.83 110.51 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -131.17 -33.0 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.99 100.49 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.531 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -100.61 154.12 37.36 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.699 0.762 . . . . 0.0 110.86 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.75 162.36 84.26 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.39 0.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.2 m -138.63 110.34 7.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.196 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' A' ' 99' ' ' TYR . 27.4 mt -100.25 121.23 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.073 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -130.74 145.04 51.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.47 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.5 mp -114.16 141.25 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 69.6 m-85 -130.78 121.63 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -123.51 149.57 45.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -75.63 121.99 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.48 -43.07 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.43 167.83 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -81.53 159.16 67.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.674 0.749 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.543 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.4 Cg_endo -69.76 136.55 33.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.613 2.209 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 6.7 m -101.1 173.67 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -117.37 109.02 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.47 ' CD1' HD13 ' A' ' 87' ' ' ILE . 14.1 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 105' ' ' ARG . 51.6 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.784 0.326 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.442 ' HD2' ' CB ' ' A' ' 49' ' ' ALA . 18.8 ptt180 -36.14 -37.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 m -50.56 -58.39 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -69.77 -53.61 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.2 mt -42.44 -40.5 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.469 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 72.0 t -73.08 -48.5 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.9 t -46.41 -46.76 18.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -63.3 -50.71 68.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -43.92 -40.08 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.97 -43.2 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.01 -37.2 52.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 mt -85.63 -37.1 19.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -52.87 -57.4 10.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.5 m -56.89 -12.84 2.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -80.61 -62.07 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 10' ' ' ILE . 97.0 t -64.97 141.7 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.407 ' N ' HG13 ' A' ' 9' ' ' VAL . 62.5 mt -104.72 131.84 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -88.52 116.14 26.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 mt -113.26 157.85 21.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.1 p -113.01 -175.11 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.43 2.24 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -118.58 -52.1 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.408 ' HB2' ' ND2' ' A' ' 20' ' ' ASN . 3.8 p -70.73 -22.08 62.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -44.77 -37.57 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.437 ' CB ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -84.14 -41.92 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -69.24 -11.36 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 16' ' ' SER . 50.2 m-80 -106.03 -27.94 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.4 -66.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 18' ' ' ASP . 33.3 mt -58.6 -39.96 81.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.74 4.9 14.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -128.02 125.84 40.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.4 38.79 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.07 157.95 36.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.77 123.89 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -117.96 112.85 20.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.4 mtt -89.9 103.57 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -93.16 117.32 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.584 ' OE2' ' CE3' ' A' ' 47' ' ' TRP . 40.3 tt0 -118.1 106.74 13.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -77.51 122.79 25.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -127.4 163.36 24.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.21 129.73 24.82 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.598 0.713 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -4.25 13.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -125.01 26.79 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 t -125.72 114.52 18.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -59.34 -67.68 2.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' GLY . 2.4 t-80 -37.47 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLY . 1.7 t -84.9 -42.19 15.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' GLY . 8.2 ptmt -52.01 -35.43 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -67.2 -21.92 65.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' GLU . 3.4 tp -88.21 -30.9 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 tp10 -34.72 -58.1 0.71 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.636 0.731 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.77 -35.9 11.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.24 -32.05 72.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.584 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 67.5 t-105 -81.5 -43.28 19.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.36 -58.18 6.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.62 -53.5 51.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' VAL . . . -43.66 -55.18 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.2 -42.15 8.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -72.44 -39.81 67.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.465 ' HG2' ' CG1' ' A' ' 109' ' ' VAL . 7.8 tt0 -77.48 -14.58 59.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 50' ' ' ALA . 47.6 t -92.27 -42.6 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' GLY . 15.3 pttm -69.85 -31.56 69.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.89 -36.05 72.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.421 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 33.6 mt-30 -83.81 -44.09 14.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.451 HG22 ' CG2' ' A' ' 62' ' ' VAL . 72.6 p -80.38 12.94 2.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm 54.13 26.2 6.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 92.48 -15.14 63.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -48.44 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.451 ' CG2' HG22 ' A' ' 58' ' ' THR . 39.7 t -80.83 112.2 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -103.41 145.05 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -111.23 123.1 49.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.37 163.41 19.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.07 152.76 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 68' ' ' ASP . 59.6 t -139.97 141.49 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.415 ' N ' HG13 ' A' ' 67' ' ' VAL . 1.1 m-20 -93.81 94.73 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . . . -50.34 -17.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.9 p -68.09 -33.12 73.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.4 p -109.36 -34.5 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -80.66 108.84 14.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -111.51 -39.8 4.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.3 t -50.25 -38.89 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.546 HD13 ' CD2' ' A' ' 17' ' ' PHE . 15.1 mt -89.17 -54.0 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.16 -44.29 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -74.24 -43.34 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.551 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 15.3 ttt85 -41.75 -49.13 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 14.7 m-85 -101.5 -22.14 14.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.0 72.96 1.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.8 mm -97.47 99.23 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.343 . . . . 0.0 111.189 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -123.62 34.95 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.31 88.78 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.507 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -92.0 154.26 43.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.847 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.76 160.12 88.55 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.31 0.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.2 m -139.83 105.96 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.9 mt -98.33 116.72 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -127.24 129.68 48.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.469 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -96.0 139.27 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -125.33 125.48 43.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.415 ' NE2' HD23 ' A' ' 115' ' ' LEU . 76.2 mt-30 -116.11 141.65 47.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 118.11 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.26 -48.59 2.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -82.41 161.14 22.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.1 p -76.13 153.17 84.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.685 0.755 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.32 59.83 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.737 2.291 . . . . 0.0 112.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.469 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 18.9 m -117.8 144.43 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.22 110.9 22.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.4 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.806 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.805 0.336 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -45.81 -37.36 6.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.7 m -57.97 -54.04 51.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -72.3 -53.73 11.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.3 mt -41.93 -47.64 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 53' ' ' GLU . 98.9 t -64.06 -49.18 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -42.53 -48.02 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 112' ' ' ALA . 7.4 tpp180 -62.38 -63.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -36.49 -38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.1 mt -64.82 -56.75 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 114' ' ' ASP . 37.5 t0 -47.02 -41.26 16.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.415 HD23 ' NE2' ' A' ' 91' ' ' GLN . 8.7 mt -76.37 -38.39 55.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -50.76 -48.51 59.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.6 p -61.95 -31.74 72.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -62.26 -57.49 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.08 132.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 11' ' ' GLU . 17.2 mt -108.4 140.21 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' HG22 ' A' ' 10' ' ' ILE . 40.3 tt0 -101.4 116.59 33.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.8 mt -113.96 153.9 28.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.44 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 3.7 p -115.02 -175.55 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -53.77 54.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -77.29 -47.25 20.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -56.49 -45.69 80.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.7 t80 -43.99 -24.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.74 -48.21 8.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -73.67 -5.64 41.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -106.25 -38.26 6.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.3 t -96.68 -65.16 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.8 mt -53.93 -39.95 66.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.75 7.33 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -132.83 127.81 35.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -84.11 16.68 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -103.05 158.08 16.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.2 t -70.96 122.89 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.501 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 30.7 m95 -114.11 116.43 29.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.466 ' SD ' ' CG2' ' A' ' 87' ' ' ILE . 0.7 OUTLIER -91.22 111.0 22.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG21 ' CE1' ' A' ' 90' ' ' PHE . 41.3 t -102.34 113.58 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -107.96 96.43 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -66.04 114.4 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 3.3 p90 -122.15 166.45 14.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.22 137.02 27.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -15.83 37.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.406 ' NE1' HG23 ' A' ' 70' ' ' THR . 2.2 p-90 -112.28 13.67 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.3 t -110.26 123.25 49.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -60.27 -52.69 51.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' GLY . 78.7 m-70 -35.97 -46.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.758 0.313 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -63.06 -57.6 10.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -41.08 -37.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.407 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 9.2 t30 -78.89 -31.41 45.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 40' ' ' CYS . 26.3 tp -79.1 -18.1 53.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.6 tp10 -39.37 -58.4 1.94 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.686 0.755 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.8 -45.37 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.237 . . . . 0.0 112.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 42' ' ' ASN . 2.0 mp0 -54.88 -27.88 46.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.563 ' CZ3' HG22 ' A' ' 108' ' ' ILE . 59.7 t-105 -91.69 -35.41 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.54 77.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.066 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.51 -47.32 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.39 -47.55 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.61 -55.0 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 m -63.03 -40.29 97.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.435 ' CG ' HG11 ' A' ' 109' ' ' VAL . 3.8 tp10 -67.1 -28.61 68.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.41 ' CG1' ' HB ' ' A' ' 62' ' ' VAL . 78.1 t -80.25 -39.61 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -74.04 -27.93 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -77.5 -31.37 53.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.467 ' CB ' HD21 ' A' ' 113' ' ' LEU . 34.4 mt-30 -90.58 -40.34 12.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.543 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 21.7 p -84.31 20.83 1.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt 50.33 26.45 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.76 28.16 47.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' HE2' ' C ' ' A' ' 119' ' ' ASN . 48.1 tptt -88.85 -61.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.41 ' HB ' ' CG1' ' A' ' 54' ' ' VAL . 6.7 t -82.53 109.87 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.501 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 26.4 mttt -91.5 155.56 18.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -125.13 118.95 27.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.71 172.05 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.77 161.83 30.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.6 t -147.83 122.64 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.492 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 46.6 p-10 -74.39 97.63 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . . . -53.71 -14.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.406 HG23 ' NE1' ' A' ' 36' ' ' TRP . 75.1 p -75.59 -27.63 58.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.492 ' CG2' ' OD2' ' A' ' 68' ' ' ASP . 42.8 t -110.19 -37.64 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -82.02 107.77 14.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -110.13 -35.04 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.34 -36.27 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.417 HD12 ' CG ' ' A' ' 17' ' ' PHE . 8.3 mt -91.73 -50.31 5.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.25 -40.66 17.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 t -77.13 -38.21 52.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 58.3 ttt180 -53.52 -49.65 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 17.4 m-85 -99.2 -19.83 16.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 79.98 80.39 0.81 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mm -111.16 106.02 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.0 -16.69 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.22 94.08 0.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.528 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -95.31 153.91 39.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.702 0.763 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.5 Cg_endo -69.8 160.95 87.29 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.33 0.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -141.65 106.15 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CG2' ' SD ' ' A' ' 29' ' ' MET . 17.0 mt -96.92 123.4 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -130.58 139.2 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.467 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 3.9 mp -98.6 144.59 11.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.451 ' CE1' HG21 ' A' ' 30' ' ' VAL . 91.4 m-85 -128.47 106.16 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -110.24 109.29 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -46.39 122.07 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.25 -41.93 1.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -140.54 174.22 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -61.81 152.6 75.47 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.708 0.766 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.37 31.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 11.9 m -118.78 166.74 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -101.99 116.03 31.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.829 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' ARG . 19.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.793 0.33 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 104' ' ' THR . 21.4 ptt180 -37.9 -36.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.9 m -59.37 -54.42 46.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.43 -52.18 12.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.563 HG22 ' CZ3' ' A' ' 47' ' ' TRP . 38.0 mt -48.07 -36.29 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.439 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 37.3 t -79.07 -45.74 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.2 t -49.69 -44.46 48.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -64.95 -51.8 59.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.06 -38.06 16.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 57' ' ' GLN . 16.2 mt -70.55 -44.56 67.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.67 -29.57 27.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.45 ' HB3' ' ND2' ' A' ' 119' ' ' ASN . 8.5 mt -94.6 -39.97 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.543 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 11.6 t80 -51.26 -50.52 59.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' PHE . 4.2 t -37.84 -38.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' ASN . 5.8 t0 -98.31 -61.41 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.45 ' ND2' ' HB3' ' A' ' 115' ' ' LEU . 27.1 m-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 p -88.85 133.97 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 11' ' ' GLU . 20.8 mt -88.41 139.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 10' ' ' ILE . 16.7 tt0 -98.47 124.5 43.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.1 mt -117.99 164.29 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 26.3 p -129.82 178.51 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -53.74 -29.99 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -103.75 -30.93 10.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.3 m -92.35 16.91 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 1.2 t80 -97.8 -47.94 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.33 -52.66 7.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -57.32 -15.08 5.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -102.57 -22.33 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.4 t -102.85 -63.29 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.92 -29.42 60.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.7 9.12 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.0 t -131.96 146.47 52.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -97.3 26.5 4.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -118.72 158.06 26.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.03 124.2 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -114.16 111.61 21.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.0 mtp -87.96 100.84 13.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.412 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 39.3 t -90.8 119.3 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -119.6 117.5 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.412 ' CZ ' HG12 ' A' ' 30' ' ' VAL . 13.6 m-85 -92.5 133.91 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -140.73 172.79 12.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -122.58 133.19 24.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.582 0.706 . . . . 0.0 111.072 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.76 -3.42 11.98 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -124.13 1.49 8.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.9 t -94.1 111.53 23.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.82 -59.26 9.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -44.76 -33.76 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.9 m -75.71 -44.85 40.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -51.71 -35.83 44.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -70.26 -24.69 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 44' ' ' GLU . 12.5 tp -89.14 -27.14 20.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.524 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.2 tt0 -36.86 -58.29 1.1 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.8 Cg_endo -69.77 -29.94 23.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.327 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.96 -33.01 73.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -79.21 -40.84 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.28 78.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.09 89.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.1 -43.15 66.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.69 -47.93 66.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -67.49 -40.1 85.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.46 ' HG2' ' CG1' ' A' ' 109' ' ' VAL . 14.2 tt0 -72.62 -14.34 61.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.3 t -92.42 -41.53 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -72.86 -20.39 61.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -81.68 -28.57 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -96.27 -36.55 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.561 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 49.5 p -85.73 20.39 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt 51.3 27.05 3.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.49 22.95 66.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -85.62 -64.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.53 109.11 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -95.29 137.67 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -106.42 123.57 48.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.97 158.44 35.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.424 ' CB ' ' OE1' ' A' ' 31' ' ' GLU . . . -121.05 154.38 36.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 68' ' ' ASP . 57.4 t -136.97 148.69 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.454 ' N ' HG12 ' A' ' 67' ' ' VAL . 14.3 m-20 -101.19 99.78 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.692 ' CB ' ' CE1' ' A' ' 84' ' ' PHE . . . -58.0 -14.57 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.401 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 77.7 p -71.42 -27.04 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -113.34 -35.3 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -76.48 106.44 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -106.5 -30.45 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.99 -38.23 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.58 -56.81 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.12 -43.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -78.89 -39.84 33.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -46.72 -51.83 15.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -100.92 -21.02 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.86 58.51 2.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.539 HG21 ' CE1' ' A' ' 84' ' ' PHE . 21.4 mm -59.4 -73.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 38.91 26.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' ILE . . . -159.46 88.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -102.15 155.52 36.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 -179.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.4 Cg_endo -69.7 165.86 75.37 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.413 -0.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -142.21 142.37 32.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.5 mt -133.96 122.78 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -131.67 148.45 52.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -114.29 138.06 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 38.1 m-85 -130.05 122.79 29.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.463 ' HB2' ' CG ' ' A' ' 94' ' ' GLU . 27.3 mp0 -114.55 157.54 22.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.04 107.49 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.76 -46.22 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 91' ' ' GLN . 10.4 pt-20 -100.92 171.53 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.1 p -83.59 152.75 64.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.79 148.98 66.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.468 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 3.6 m -108.4 173.65 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 1.6 m-20 -113.52 103.51 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.1 t80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.848 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 105' ' ' ARG . 81.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.752 0.311 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 104' ' ' THR . 19.5 ptt180 -36.68 -41.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -50.78 -59.06 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.96 -53.58 20.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 104' ' ' THR . 20.1 mt -42.15 -41.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 53' ' ' GLU . 98.4 t -74.97 -48.16 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.7 t -49.23 -36.59 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -72.51 -53.09 13.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.31 -39.34 6.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.01 -51.62 68.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.02 -44.79 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -78.98 -44.13 23.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.561 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 32.9 t80 -44.69 -40.36 5.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 91.9 p -70.72 -36.14 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.46 -53.99 50.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 24.7 t70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.71 121.53 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 49.2 mt -94.84 135.41 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.38 138.6 31.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.9 mt -122.18 160.43 25.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.8 171.52 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -58.43 -17.2 18.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -117.47 -40.94 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.449 ' OG ' ' ND2' ' A' ' 20' ' ' ASN . 1.1 t -66.75 -22.59 66.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -52.83 -39.38 62.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.96 -38.61 19.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -67.47 -17.72 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.449 ' ND2' ' OG ' ' A' ' 16' ' ' SER . 5.1 m-80 -106.03 -25.86 11.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.478 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 98.2 t -98.11 -65.44 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.57 -53.68 54.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -53.86 -15.21 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 t -112.1 133.07 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -85.62 27.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.12 158.03 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -72.56 127.48 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.478 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 38.9 m95 -116.51 113.55 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.4 mtp -88.28 99.81 12.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.545 HG12 ' CE1' ' A' ' 32' ' ' PHE . 74.8 t -92.55 121.61 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.556 ' OE1' ' CD2' ' A' ' 47' ' ' TRP . 41.8 tt0 -121.86 100.16 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.545 ' CE1' HG12 ' A' ' 30' ' ' VAL . 28.0 m-85 -73.03 129.72 38.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.41 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 15.0 p90 -135.94 176.36 8.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.4 132.3 24.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.707 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -7.72 21.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -121.68 21.54 10.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.4 t -119.48 127.51 53.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -60.92 -55.6 28.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' GLY . 6.5 t-80 -35.23 -39.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -75.86 -54.28 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -43.3 -43.54 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.491 ' C ' ' ND2' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -73.14 -25.67 60.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' CYS . 4.6 tp -88.01 -19.08 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tp10 -39.41 -57.93 2.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.0 Cg_endo -69.79 -40.51 5.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.485 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -58.08 -31.21 66.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.556 ' CD2' ' OE1' ' A' ' 31' ' ' GLU . 71.8 t-105 -82.67 -37.02 25.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.4 -56.52 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.97 64.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 105' ' ' ARG . . . -52.14 -43.3 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.27 -46.95 72.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -71.16 -40.49 71.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -68.46 -26.7 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -83.45 -38.56 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -74.74 -21.57 59.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -86.23 -25.53 25.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.439 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 32.2 mt-30 -94.65 -43.21 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.545 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 31.0 p -83.61 22.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 50.66 29.75 4.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.63 23.42 72.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -81.82 -61.11 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.38 105.69 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -88.05 155.54 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mp -122.55 121.91 37.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 10' ' ' ILE . . . -128.88 166.91 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.31 166.44 18.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.0 t -150.92 138.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.64 101.99 14.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -59.78 -10.12 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.9 p -85.12 -13.82 49.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.35 -29.78 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.32 105.64 17.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -106.95 -32.5 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.36 -39.22 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.537 HD11 ' CD2' ' A' ' 17' ' ' PHE . 41.4 mt -86.07 -58.14 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -43.66 -38.47 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.1 t -74.28 -29.96 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' LEU . 50.5 ttt-85 -64.88 -46.88 79.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -96.48 -22.6 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 85.55 50.16 4.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.7 mm -80.92 112.08 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -128.98 -29.32 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.39 107.22 2.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.527 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -100.94 154.74 36.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.3 Cg_endo -69.82 165.94 75.51 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.347 0.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.4 m -142.01 105.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.194 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.1 mt -97.86 123.5 50.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -130.08 138.65 50.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 99' ' ' TYR . 4.2 mp -106.06 140.8 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 87.1 m-85 -128.48 112.24 14.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 92' ' ' LYS . 63.6 mt-30 -112.98 73.01 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 91' ' ' GLN . 4.3 ttmt -34.3 112.67 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.57 -33.92 1.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -128.26 -76.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 t -175.63 142.82 0.67 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.705 0.764 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.554 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.79 162.03 43.66 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.624 2.216 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.83 178.31 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -125.5 119.6 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.438 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 54.6 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 106' ' ' SER . 35.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.727 0.299 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 104' ' ' THR . 22.4 ptt85 -34.04 -35.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 104' ' ' THR . 62.9 m -57.22 -58.79 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.28 -53.95 17.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 35.7 mt -45.38 -46.29 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.439 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 56.0 t -71.66 -47.48 57.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.0 t -50.03 -37.88 35.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -73.52 -56.12 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.91 -37.72 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.0 mt -58.85 -41.08 86.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -56.43 -40.61 75.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.32 -43.44 60.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.545 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 51.5 t80 -51.93 -39.2 58.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 m -89.56 24.93 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -130.8 -32.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.32 134.75 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.47 HD13 ' CH2' ' A' ' 28' ' ' TRP . 56.3 mt -102.97 141.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 10' ' ' ILE . 29.6 tt0 -98.93 121.49 40.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -118.3 170.79 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 32.9 p -128.87 -177.05 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -25.02 67.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 7.0 t70 -105.18 -49.1 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 19.8 m -62.7 -23.82 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.606 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -56.6 -29.97 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -93.17 -42.99 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -12.63 38.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 16' ' ' SER . 62.3 m-80 -103.07 -42.48 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 28' ' ' TRP . 73.9 t -85.69 -64.66 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -53.99 -44.2 70.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -74.95 4.8 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.3 t -128.87 114.88 17.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.82 -14.71 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -76.18 153.8 35.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.6 135.61 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.517 ' CG ' HG21 ' A' ' 21' ' ' VAL . 37.6 m95 -122.82 114.66 20.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.3 mtp -90.16 106.41 18.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.461 HG11 ' CE1' ' A' ' 32' ' ' PHE . 92.7 t -90.71 131.85 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.21 104.09 7.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.461 ' CE1' HG11 ' A' ' 30' ' ' VAL . 26.8 m-85 -78.99 126.9 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -139.3 167.7 21.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 36' ' ' TRP . . . -122.47 135.75 25.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -3.06 11.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.517 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.1 p-90 -120.09 -3.62 10.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 t -89.82 111.36 22.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.19 -54.49 31.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -45.69 -39.85 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.5 m -72.8 -40.81 65.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -52.29 -36.82 53.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -73.53 -24.95 60.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' GLU . 7.1 tp -83.89 -25.43 30.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.7 tt0 -36.54 -58.52 1.0 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.842 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.4 Cg_endo -69.75 -34.1 15.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.308 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -64.81 -30.9 71.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.559 ' CZ3' HG23 ' A' ' 108' ' ' ILE . 65.3 t-105 -84.25 -33.15 24.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.08 -57.43 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.83 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.84 -47.95 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.51 -42.54 74.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -72.43 -38.3 68.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.466 ' HG2' ' CG1' ' A' ' 109' ' ' VAL . 10.4 tt0 -75.1 -12.26 60.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.8 t -93.56 -43.85 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -71.17 -26.31 62.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' CD ' ' HA ' ' A' ' 53' ' ' GLU . 19.5 pt-20 -77.4 -25.49 50.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -96.52 -37.05 10.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.457 ' HA ' ' CE1' ' A' ' 116' ' ' PHE . 55.4 p -86.49 1.49 51.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 62.39 37.72 13.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.8 -13.44 36.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.59 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -50.86 -68.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.8 t -84.35 121.86 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.419 ' C ' HD13 ' A' ' 64' ' ' LEU . 23.2 mtpp -109.19 159.82 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.419 HD13 ' C ' ' A' ' 63' ' ' LYS . 9.6 mp -126.48 127.31 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.15 165.83 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.9 151.52 50.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.7 153.55 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -106.37 97.23 7.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.03 -16.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.8 p -72.74 -32.37 65.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -105.91 -29.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.93 110.56 20.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -110.51 -31.25 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -59.67 -39.46 79.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.513 HD12 ' CD2' ' A' ' 17' ' ' PHE . 34.1 mt -85.07 -56.07 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.43 -26.7 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 t -89.75 -33.97 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.438 ' HD3' ' CE1' ' A' ' 79' ' ' TYR . 18.6 ttt85 -63.64 -42.5 98.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.438 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 22.3 m-85 -105.32 -19.62 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.27 45.29 6.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mm -75.48 100.62 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -126.89 -27.35 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.91 95.11 1.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.52 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -97.39 153.95 38.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.646 0.736 . . . . 0.0 110.891 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.9 Cg_endo -69.77 154.14 93.22 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.345 0.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -133.5 119.47 19.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.9 mt -113.0 126.85 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -134.47 141.78 46.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.475 ' CD1' ' N ' ' A' ' 89' ' ' ILE . 1.9 mp -105.38 139.27 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 28.6 m-85 -129.16 129.62 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.459 ' NE2' HG21 ' A' ' 89' ' ' ILE . 9.8 mp0 -131.44 133.21 44.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -61.23 143.82 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.88 -41.72 2.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -116.57 162.77 17.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.1 p -74.88 153.15 86.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.498 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.5 Cg_endo -69.76 162.83 40.58 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.37 -176.4 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -113.55 117.82 32.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.812 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 105' ' ' ARG . 36.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.836 0.351 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 104' ' ' THR . 21.3 ptt180 -36.73 -36.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.4 p -62.63 -51.62 66.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.79 -52.82 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.559 HG23 ' CZ3' ' A' ' 47' ' ' TRP . 43.5 mt -46.19 -48.5 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.466 ' CG1' ' HG2' ' A' ' 53' ' ' GLU . 75.8 t -70.76 -45.65 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 t -51.26 -31.0 19.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 114' ' ' ASP . 21.6 tpt85 -78.85 -55.18 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.44 -34.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.37 -38.81 78.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' ARG . 30.3 t0 -51.88 -28.2 15.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.9 -41.48 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.457 ' CE1' ' HA ' ' A' ' 58' ' ' THR . 20.2 t80 -56.21 -32.44 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.3 m -68.6 -11.93 60.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -99.2 -44.1 6.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.42 127.4 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 11' ' ' GLU . 56.5 mt -104.26 138.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' HG21 ' A' ' 10' ' ' ILE . 23.9 tt0 -99.07 133.6 43.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -123.12 176.97 5.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.9 p -131.17 -175.62 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.88 -17.65 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -108.74 -49.97 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -61.78 -38.3 87.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CD2' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -38.51 -39.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.441 ' OD1' ' CE ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -91.43 -35.52 14.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' CE ' ' OD1' ' A' ' 18' ' ' ASP . 9.3 mmpt? -67.65 -14.43 62.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -105.95 -34.88 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.48 -55.1 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.37 -38.24 87.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -76.21 3.2 11.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t -130.18 115.33 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -61.62 -18.17 58.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.463 ' HA ' ' CE ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -72.35 157.51 37.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.96 138.99 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -126.65 114.09 17.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.5 mtp -91.14 102.35 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -92.22 131.38 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 31' ' ' GLU . 6.5 tm-20 -125.59 91.31 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -59.74 124.01 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 6.9 p90 -134.8 173.83 11.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -122.98 135.38 25.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -6.1 17.75 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.389 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -125.26 1.93 7.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.6 t -91.66 122.08 33.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -56.03 -58.64 13.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.2 m170 -35.53 -46.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.329 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -62.76 -54.22 42.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -43.79 -37.39 2.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -75.99 -30.11 58.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' CYS . 21.9 tp -81.31 -23.1 38.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.1 tp10 -35.65 -59.62 0.71 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.665 0.745 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.76 -45.18 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.0 -28.66 53.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -89.74 -38.5 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.18 81.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.83 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' VAL . . . -42.72 -55.13 3.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.89 -50.91 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -37.43 84.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' HG2' ' CG1' ' A' ' 109' ' ' VAL . 6.3 tt0 -76.96 -14.03 59.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.475 HG13 ' CB ' ' A' ' 112' ' ' ALA . 69.3 t -93.99 -43.91 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -70.65 -17.46 62.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -86.13 -31.75 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -90.94 -38.87 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.564 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 66.3 p -81.93 15.89 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 56.8 25.49 10.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.67 18.71 67.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 26' ' ' ASP . 16.8 tptm -83.33 -66.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.8 t -73.28 118.1 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.1 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -103.02 157.08 17.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 mp -125.76 120.27 30.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.48 175.16 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.44 163.48 30.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.9 t -155.74 148.13 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.488 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -85.38 98.67 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.556 ' HB1' ' CE1' ' A' ' 84' ' ' PHE . . . -60.43 -19.11 55.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.13 -18.55 32.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 68' ' ' ASP . 64.6 t -106.37 -25.64 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.488 ' ND2' ' OD1' ' A' ' 68' ' ' ASP . 6.3 m-80 -94.78 111.75 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -103.29 -24.93 13.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.9 t -66.69 -35.97 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.545 HD13 ' CD2' ' A' ' 17' ' ' PHE . 11.0 mt -92.19 -50.96 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.404 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -52.58 -29.56 26.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 t -84.39 -24.83 29.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -75.72 -35.85 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -111.0 -16.97 13.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.404 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 77.8 77.05 0.85 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.452 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.2 mm -106.69 115.97 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 111.084 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -127.68 -26.15 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.22 119.43 5.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CE1' ' HB1' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -114.33 155.98 45.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.1 Cg_endo -69.74 166.71 73.3 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.394 -0.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.4 ' CG2' ' HZ1' ' A' ' 88' ' ' LYS . 1.2 m -141.8 106.04 4.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.1 mt -94.15 123.76 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.4 ' HZ1' ' CG2' ' A' ' 86' ' ' THR . 17.3 mmtm -135.76 133.69 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 mp -89.61 149.05 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -138.07 131.71 31.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -125.03 143.58 50.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -67.54 105.48 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.7 -47.5 1.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.89 167.39 21.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 p -83.84 142.24 41.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.683 0.754 . . . . 0.0 110.832 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 150.84 69.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.52 178.88 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.94 132.21 56.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.7 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.815 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -40.26 -40.61 1.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 m -53.83 -47.0 71.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -82.0 -51.15 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.2 mt -46.73 -41.22 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.479 ' CG1' ' HG2' ' A' ' 53' ' ' GLU . 87.3 t -70.95 -48.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.3 t -44.23 -48.17 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -63.25 -56.85 13.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.475 ' CB ' HG13 ' A' ' 54' ' ' VAL . . . -42.08 -37.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.0 -40.75 75.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.49 -37.12 62.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.9 mt -88.02 -37.12 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.564 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 20.1 t80 -47.65 -60.79 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 t -46.73 -42.03 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.08 -44.85 95.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.04 105.32 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.414 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 45.1 mt -80.78 136.05 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -101.74 128.05 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.7 mt -111.93 172.04 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' PHE . 4.3 m -133.17 164.42 27.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -46.74 -37.46 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -100.32 -15.71 17.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 61.2 m -105.23 16.6 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -98.87 -29.83 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.893 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -88.74 -52.79 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -64.2 -10.93 26.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 16' ' ' SER . 5.0 m-80 -101.28 -28.11 12.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.1 t -101.56 -61.5 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.424 ' O ' ' CE ' ' A' ' 92' ' ' LYS . 16.8 mt -55.27 -55.32 32.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.3 -12.8 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -103.89 101.13 10.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -49.8 -23.44 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.19 157.83 36.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.67 145.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.414 ' CZ3' HD11 ' A' ' 10' ' ' ILE . 43.5 m95 -131.29 111.69 12.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mtp -87.49 101.0 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -85.22 130.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.567 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 5.2 tp10 -127.16 96.78 4.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -70.02 128.64 37.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.591 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 2.3 p90 -139.82 165.38 27.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -122.99 137.52 28.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.547 0.689 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -18.71 37.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.395 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -105.08 9.81 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.7 t -109.7 128.26 55.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.27 -53.23 43.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -40.24 -33.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.591 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -73.57 -58.52 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -46.17 -41.7 12.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -73.21 -29.48 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.4 ' C ' ' HD2' ' A' ' 45' ' ' PRO . 12.3 tp -80.69 -22.42 40.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.599 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -37.91 -54.11 2.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.915 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.0 Cg_endo -69.79 -46.58 1.16 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -55.92 -28.1 55.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 58.8 t-105 -92.5 -37.96 12.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.96 -53.29 59.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.43 -49.3 76.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.25 -45.41 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.58 70.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -81.02 -31.43 34.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -76.98 -20.8 55.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.445 HG22 ' CB ' ' A' ' 112' ' ' ALA . 55.1 t -84.98 -39.76 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -75.75 -20.47 58.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.8 -30.4 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.406 ' CB ' HD22 ' A' ' 113' ' ' LEU . 36.9 mt-30 -94.65 -40.09 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.558 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 34.6 p -82.56 18.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm 53.37 27.49 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.71 17.87 71.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -77.17 -65.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.9 t -76.41 110.55 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -97.57 141.83 30.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.19 128.2 54.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.2 160.49 32.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.57 154.46 46.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.427 HG11 ' ND2' ' A' ' 72' ' ' ASN . 60.9 t -142.86 141.65 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -89.83 105.78 18.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.08 -13.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.9 p -83.05 -23.29 33.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.81 -35.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.427 ' ND2' HG11 ' A' ' 67' ' ' VAL . 3.8 m-80 -87.89 110.81 20.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -106.87 -39.73 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.4 t -55.08 -39.41 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.27 -52.09 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -49.5 -39.23 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 t -78.27 -37.92 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -52.32 -51.81 56.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -100.96 -16.5 17.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 80.18 86.87 0.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 84' ' ' PHE . 50.4 mm -105.02 115.59 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.402 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -134.38 -34.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.41 101.66 2.08 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -104.08 155.83 36.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.737 . . . . 0.0 110.894 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.71 162.99 82.86 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.362 -0.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.405 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 3.6 m -140.05 108.84 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.401 ' CG1' ' OE2' ' A' ' 31' ' ' GLU . 18.5 mt -95.81 124.27 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -134.18 126.31 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.405 ' CD1' ' HB2' ' A' ' 99' ' ' TYR . 2.7 mp -88.63 147.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.522 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 94.4 m-85 -138.03 127.94 25.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -124.62 131.09 53.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.424 ' CE ' ' O ' ' A' ' 22' ' ' LEU . 21.0 tttm -50.08 124.63 10.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.54 -41.83 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -76.04 163.53 27.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.5 t -85.02 139.49 36.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.522 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.0 Cg_endo -69.75 153.6 68.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.6 m -129.83 171.35 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -112.63 116.87 30.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.405 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 89.1 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.796 0.331 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -46.49 -36.34 6.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -54.75 -53.16 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -75.7 -52.16 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.2 mt -46.51 -42.21 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 44.9 t -72.21 -47.7 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.3 t -45.3 -44.2 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 114' ' ' ASP . 0.0 OUTLIER -71.57 -53.05 15.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.445 ' CB ' HG22 ' A' ' 54' ' ' VAL . . . -40.05 -30.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.406 HD22 ' CB ' ' A' ' 57' ' ' GLN . 85.8 mt -77.8 -38.74 45.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' ARG . 2.9 m-20 -57.27 -30.8 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -93.93 -35.99 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.558 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 7.0 t80 -48.3 -57.61 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' ASP . 24.9 t -52.21 -56.05 17.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' SER . 15.2 m-20 -35.76 -55.84 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.868 0.365 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.2 t -57.71 125.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.3 mt -96.06 149.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -102.82 134.56 46.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.0 mt -118.69 163.79 16.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.88 171.16 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -31.8 50.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.813 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.02 -45.03 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -59.1 -32.92 70.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.513 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 t80 -44.07 -47.43 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 22' ' ' LEU . 1.2 p30 -76.64 -48.23 19.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -62.34 -12.25 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -106.03 -25.49 12.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.414 HG22 ' CG ' ' A' ' 28' ' ' TRP . 38.3 t -104.57 -62.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 18' ' ' ASP . 53.5 mt -56.11 -43.82 78.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -79.15 9.07 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -122.18 115.03 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -64.91 -14.79 60.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.4 158.0 23.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.4 t -73.39 142.4 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.52 ' CH2' ' HE2' ' A' ' 63' ' ' LYS . 47.8 m95 -129.97 116.44 18.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.6 mtp -93.27 99.36 11.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 32' ' ' PHE . 60.4 t -85.33 127.89 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.521 ' OE2' ' CE3' ' A' ' 47' ' ' TRP . 9.0 tt0 -127.06 107.84 10.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CE1' HG12 ' A' ' 30' ' ' VAL . 30.3 m-85 -83.79 126.4 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.493 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 3.7 p90 -135.96 169.07 18.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.12 133.41 24.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 0.0 111.094 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -9.85 27.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -117.42 13.76 14.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.7 t -112.14 129.56 56.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -56.8 -62.69 6.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.4 m170 -36.39 -41.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.493 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -62.64 -54.47 38.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -51.93 -31.24 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -80.64 -28.75 36.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 tp -83.59 -12.11 56.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 tt0 -52.8 -58.8 10.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.636 0.732 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.4 Cg_endo -69.76 -25.03 29.04 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -77.15 -31.3 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.521 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 56.7 t-105 -87.13 -42.5 12.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.46 -53.94 32.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.28 -52.71 52.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' O ' ' CG2' ' A' ' 54' ' ' VAL . . . -42.17 -35.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.72 92.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -69.37 -43.36 73.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' CG ' HG12 ' A' ' 109' ' ' VAL . 6.2 tp10 -65.91 -27.71 68.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 50' ' ' ALA . 84.6 t -87.4 -37.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 60' ' ' GLY . 8.3 tttm -68.71 -37.97 79.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -76.49 -35.34 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -77.4 -40.65 42.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.423 HG23 ' CG1' ' A' ' 54' ' ' VAL . 19.6 p -88.2 6.04 38.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.15 26.32 16.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 92.07 -11.43 72.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -52.21 -67.57 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.341 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.38 107.09 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.52 ' HE2' ' CH2' ' A' ' 28' ' ' TRP . 25.7 mtpt -95.58 150.81 19.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.1 mp -116.41 132.26 56.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.89 163.56 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.2 153.99 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.0 t -136.92 136.77 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.02 101.59 14.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.94 -11.78 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.0 p -80.51 -16.44 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.0 t -119.94 -37.3 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -82.67 107.19 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -107.87 -33.81 7.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -53.24 -39.47 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 78' ' ' ARG . 17.4 mt -88.85 -55.35 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.73 -28.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -89.4 -35.09 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 75' ' ' LEU . 42.9 ttt85 -61.85 -45.05 95.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -99.1 -19.52 17.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.56 37.23 9.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.52 103.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -128.28 -29.88 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.43 99.33 1.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -96.74 153.92 38.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.876 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.79 166.57 73.78 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.344 -0.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.4 m -141.68 111.96 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.7 mt -102.76 124.19 56.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -135.19 136.01 41.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 90' ' ' PHE . 4.9 mp -105.31 135.76 42.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 38.4 m-85 -124.4 129.76 51.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -120.34 141.9 49.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.431 ' NZ ' ' O ' ' A' ' 22' ' ' LEU . 2.0 tppt? -71.82 118.76 15.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.56 -39.7 2.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -108.85 167.06 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.9 p -77.6 155.83 80.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.685 0.755 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.74 163.44 38.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.388 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.405 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 1.8 m -123.05 -179.17 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -122.64 106.39 10.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.5 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.841 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ARG . 72.6 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.335 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' THR . 17.2 ptt85 -37.51 -36.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m -53.21 -59.02 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.35 -53.96 30.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.516 HG22 ' CZ3' ' A' ' 47' ' ' TRP . 20.1 mt -46.99 -39.81 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.42 HG12 ' CG ' ' A' ' 53' ' ' GLU . 47.9 t -74.1 -47.23 42.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.5 t -45.3 -45.7 12.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 114' ' ' ASP . 13.2 tpp180 -65.25 -54.22 32.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.98 -37.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.7 mt -75.04 -37.89 61.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 111' ' ' ARG . 2.0 m-20 -57.68 -27.4 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.8 mt -95.64 -43.71 7.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -48.49 -40.52 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.1 p -67.04 -38.5 85.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -43.01 89.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.416 ' CG ' ' HD3' ' A' ' 55' ' ' LYS . 29.5 t70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 41.3 t -57.07 122.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 mt -95.08 150.75 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -109.48 127.93 54.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.7 mt -119.75 172.09 7.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 p -133.1 -177.0 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.71 -30.46 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -101.96 -45.84 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -61.55 -30.97 71.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -47.07 -39.82 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.57 -44.84 10.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -62.29 -18.33 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -104.04 -22.53 13.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 17' ' ' PHE . 94.2 t -101.76 -64.78 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.43 -33.2 69.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -71.77 -1.11 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t -133.87 131.54 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -77.56 4.13 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.97 157.89 18.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.25 127.32 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -115.83 111.0 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.1 mtp -86.36 108.9 18.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.541 HG12 ' CE1' ' A' ' 32' ' ' PHE . 57.3 t -93.73 125.94 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 86' ' ' THR . 4.0 tp10 -124.35 99.49 6.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.541 ' CE1' HG12 ' A' ' 30' ' ' VAL . 38.7 m-85 -74.88 130.16 38.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.573 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 4.9 p90 -135.61 169.39 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.12 132.74 24.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.536 0.684 . . . . 0.0 111.137 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -13.44 34.65 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -115.29 17.17 16.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.7 t -118.23 120.44 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -50.24 -55.17 16.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' GLY . 35.8 m170 -37.41 -46.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.573 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -58.43 -51.51 69.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -48.53 45.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -68.23 -14.0 62.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 tp -94.69 -20.93 19.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.495 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.4 tt0 -46.98 -59.16 5.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.652 0.739 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.5 Cg_endo -69.79 -29.11 24.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -70.22 -33.4 71.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.5 t-105 -86.33 -42.71 13.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -52.54 -43.83 65.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.55 -50.93 18.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.58 -46.97 14.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.41 -48.12 65.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 m -67.73 -42.79 81.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.01 -25.14 64.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 109' ' ' VAL . 54.8 t -84.69 -43.88 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.153 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HD3' ' CG ' ' A' ' 8' ' ' ASP . 5.9 pttp -69.64 -24.12 63.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.6 -30.56 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.407 ' NE2' HD23 ' A' ' 113' ' ' LEU . 33.9 mt-30 -89.72 -39.4 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.544 ' HA ' ' CE1' ' A' ' 116' ' ' PHE . 65.8 p -82.44 19.0 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm 51.28 25.58 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.01 21.12 58.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -86.81 -68.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.92 103.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -92.62 151.55 20.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mp -117.57 128.23 54.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.93 170.41 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.44 156.74 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 68' ' ' ASP . 60.8 t -143.12 139.46 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.456 ' N ' HG12 ' A' ' 67' ' ' VAL . 0.8 OUTLIER -89.8 99.54 12.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -55.08 -15.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.1 p -78.22 -25.03 46.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -107.99 -37.14 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.2 108.2 14.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -106.06 -37.05 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.61 -42.09 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 17' ' ' PHE . 50.9 mt -80.87 -57.93 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -41.52 -41.7 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -75.45 -44.27 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -46.66 -54.0 10.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -96.67 -21.26 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 80.23 77.19 0.97 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mm -102.21 105.11 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.102 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -126.79 24.42 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.05 90.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.544 ' CZ ' ' HB1' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -93.38 154.99 41.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.673 0.749 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.79 162.92 83.21 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.337 0.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.413 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 37.2 m -139.04 105.11 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.4 mt -95.11 118.97 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -128.14 146.79 50.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.469 HG21 ' N ' ' A' ' 90' ' ' PHE . 5.4 mp -113.84 137.28 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 81.5 m-85 -123.5 120.8 33.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -118.06 122.63 43.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -46.47 136.91 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.79 -44.63 3.39 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -96.31 161.0 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.366 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 m -79.78 159.67 70.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.566 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.75 156.56 63.07 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 1.1 m -121.67 176.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.86 106.43 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.463 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 68.0 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.782 0.325 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -43.1 -36.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 m -56.94 -44.95 83.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -81.38 -50.98 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.2 mt -48.36 -44.9 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.466 ' CG2' HG21 ' A' ' 54' ' ' VAL . 73.5 t -73.64 -45.94 49.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.8 t -51.86 -20.53 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -93.81 -54.69 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.2 -29.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.407 HD23 ' NE2' ' A' ' 57' ' ' GLN . 92.0 mt -64.88 -43.93 91.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.74 -42.71 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' PHE . 6.7 mt -75.96 -41.22 52.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' A' ' 58' ' ' THR . 16.1 t80 -37.89 -57.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.2 t -55.35 -55.4 32.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -39.69 -45.06 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -92.57 106.4 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -171.06 155.69 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.64 -155.44 6.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -94.94 101.75 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.909 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -174.74 149.74 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.84 -132.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 29.8 t70 -110.6 41.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t -77.73 121.16 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -98.98 128.92 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -91.56 121.56 33.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.3 mt -117.75 151.99 36.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.0 p -100.87 -175.53 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -79.63 -7.25 58.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -110.87 -53.8 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' LYS . 4.1 p -65.02 -33.03 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -40.88 -39.88 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -82.4 -28.89 31.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' SER . 10.9 mmtp -81.78 -8.56 59.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -105.46 -41.07 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.452 HG21 ' CG ' ' A' ' 28' ' ' TRP . 75.8 t -84.85 -65.33 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.85 -30.22 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -81.92 8.36 10.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.3 t -137.03 139.71 41.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -92.51 34.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -123.26 157.81 32.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -71.18 125.11 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 49.5 m95 -117.43 111.55 19.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.8 mtt -85.3 99.76 11.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.73 119.07 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -118.4 121.8 41.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.42 ' C ' ' OE2' ' A' ' 31' ' ' GLU . 26.8 m-85 -96.6 126.19 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -129.62 165.62 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.66 132.42 24.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.561 0.696 . . . . 0.0 111.138 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.12 9.63 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.744 2.296 . . . . 0.0 112.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -125.7 23.23 7.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.5 t -124.39 136.36 54.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' CYS . . . -75.71 -55.61 4.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -40.33 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 38' ' ' GLY . 62.3 m -88.99 -47.7 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -32.37 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -75.97 -23.42 55.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 44' ' ' GLU . 10.4 tp -90.29 -24.61 20.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.4 tp10 -35.13 -59.74 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.7 -38.33 8.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.39 -37.27 72.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -75.83 -43.53 45.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.2 -55.77 21.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.93 67.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.62 -48.34 39.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.31 -46.07 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -69.36 -49.62 53.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.85 -25.11 66.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.7 t -87.67 -43.71 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -64.31 -36.56 84.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -75.37 -34.33 61.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 26.4 mt-30 -79.6 -32.16 41.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.461 HG23 ' CG2' ' A' ' 62' ' ' VAL . 42.6 p -95.92 -0.1 51.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 27.83 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.41 -18.36 57.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -50.35 -57.35 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.461 ' CG2' HG23 ' A' ' 58' ' ' THR . 36.7 t -95.68 102.64 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 3.3 mtpm? -95.35 156.72 16.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mp -123.28 129.31 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.19 166.75 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.35 148.02 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 68' ' ' ASP . 45.2 t -136.17 152.74 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.447 ' N ' HG12 ' A' ' 67' ' ' VAL . 1.7 m-20 -101.81 98.67 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.53 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -53.34 -16.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.2 p -76.08 -28.28 57.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.6 t -107.27 -28.21 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -92.19 111.32 22.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -108.19 -39.08 5.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.8 t -53.15 -49.39 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD11 ' CD2' ' A' ' 17' ' ' PHE . 21.3 mt -75.6 -56.57 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -43.03 -41.96 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t -75.05 -40.74 60.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -45.09 -51.0 10.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -105.01 -22.25 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 88.38 79.89 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.1 mm -104.92 103.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.112 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -124.21 -19.96 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.84 95.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.53 ' CZ ' ' HB1' ' A' ' 69' ' ' ALA . 1.2 m-85 -96.07 154.02 38.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 0.0 110.875 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.8 155.68 93.25 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.343 0.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.4 m -134.09 102.17 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 48.8 mt -90.43 124.55 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -132.05 137.78 47.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.476 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -106.69 144.71 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.449 ' N ' HG22 ' A' ' 89' ' ' ILE . 66.5 m-85 -131.14 126.36 35.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -122.3 112.38 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -50.09 113.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.77 -47.61 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -115.58 159.9 20.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.0 p -61.2 146.97 87.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.24 57.64 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.74 2.293 . . . . 0.0 112.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.476 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 16.3 m -114.19 163.27 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -107.99 113.91 27.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.47 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 24.0 t80 -79.71 122.91 27.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -140.02 107.24 5.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 170.6 -148.07 11.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -47.91 134.34 16.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -104.05 33.58 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' ARG . 64.8 p -121.73 135.06 54.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' THR . 18.5 ptt180 -34.47 -37.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' THR . 57.7 m -53.71 -50.05 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.7 m-20 -79.01 -51.21 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.1 mt -46.54 -44.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.415 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 78.1 t -69.49 -46.79 75.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.5 t -46.38 -43.02 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -68.0 -56.95 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.65 -38.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.05 -46.29 74.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -51.32 -26.04 6.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 118' ' ' ASP . 38.9 mt -93.81 -45.84 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.554 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 38.8 t80 -34.47 -50.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.6 t -59.84 -45.51 92.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.7 OUTLIER -48.66 -57.33 6.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -83.83 -72.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.554 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . . . -64.11 139.91 97.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.591 0.71 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 148.99 66.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 168.1 22.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 85.9 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 125' ' ' LEU . 15.8 tt0 -171.11 117.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 124' ' ' GLU . 0.8 OUTLIER -34.12 142.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tt -169.86 134.62 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -47.46 151.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.7 p -84.49 -52.17 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 127.8 137.62 4.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 100.17 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.9 m 52.34 46.21 27.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.2 p 39.26 43.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 m -137.26 175.88 9.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.376 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 t -70.4 -54.81 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.89 138.75 6.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -106.69 -46.64 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -91.81 35.74 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 9' ' ' VAL . . . 60.98 -143.92 48.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.503 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -39.23 -29.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 55.5 t -68.98 132.25 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.4 mt -102.78 132.77 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.41 125.55 38.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD23 ' CB ' ' A' ' 20' ' ' ASN . 15.5 mt -117.45 159.95 21.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 82.8 p -118.75 -175.68 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.34 -29.67 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -100.44 -30.83 11.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 m -92.81 16.62 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -101.29 -25.44 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -92.55 -54.18 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -64.07 -6.53 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.406 ' CB ' HD23 ' A' ' 12' ' ' LEU . 10.4 m-80 -104.29 -32.85 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -97.34 -63.43 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' ' NZ ' ' A' ' 92' ' ' LYS . 5.8 mt -56.43 -55.99 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.21 -13.41 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -107.82 137.99 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -86.16 -4.53 59.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.39 153.13 21.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -71.28 132.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -121.38 117.85 27.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.5 mtt -93.46 104.52 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.35 124.26 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -123.84 103.78 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -77.41 127.94 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 1.9 p90 -141.37 163.27 33.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . . . -122.34 139.35 30.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.42 18.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.457 ' CD2' ' HB2' ' A' ' 34' ' ' ALA . 2.3 p-90 -114.37 0.52 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 t -93.2 118.53 31.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.86 -28.86 64.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -69.63 -20.85 63.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' LEU . 89.7 m -96.24 -41.44 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -47.0 -31.05 2.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -73.7 -31.1 63.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.7 tp -83.5 -21.22 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.2 tt0 -37.65 -58.67 1.26 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.593 0.711 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.72 -42.3 3.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -55.36 -34.55 64.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.42 ' CZ3' HG23 ' A' ' 108' ' ' ILE . 64.1 t-105 -78.49 -41.18 33.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -55.05 -47.53 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.21 -51.76 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.16 -40.8 5.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.44 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -68.91 -29.5 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -79.5 -23.15 43.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.9 t -88.08 -42.72 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.7 pttm -69.72 -16.61 63.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -90.75 -35.97 14.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 36.1 mt-30 -84.62 -37.66 20.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.551 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 25.8 p -88.74 21.61 2.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp 53.39 31.13 11.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 74.35 18.1 79.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.489 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -77.56 -60.57 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.8 t -82.04 112.54 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -97.32 148.3 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mp -114.07 122.96 48.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -123.21 161.54 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.13 151.44 49.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.3 t -140.51 153.45 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -106.45 106.96 17.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.463 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -53.32 -15.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.1 p -76.99 -28.7 55.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.93 -31.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -89.46 109.9 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -108.64 -35.47 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.62 -41.65 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 17' ' ' PHE . 16.8 mt -80.36 -51.18 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.33 -25.67 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 t -90.27 -32.23 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -62.46 -41.5 98.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -108.76 -22.28 12.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.84 49.19 3.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.0 mm -74.24 103.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -126.52 -27.13 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.57 98.74 1.9 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -99.93 154.02 37.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.75 163.0 82.93 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.343 -0.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -138.14 105.66 5.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.8 mt -97.63 115.19 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -127.88 134.48 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 99' ' ' TYR . 4.4 mp -103.56 134.62 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 91.4 m-85 -122.73 122.18 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -105.76 156.61 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 22' ' ' LEU . 6.1 tptt -71.63 117.47 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.35 -39.1 2.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.47 156.55 32.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -74.76 143.46 78.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 0.0 110.817 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.543 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.0 Cg_endo -69.72 153.81 68.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.67 175.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.88 108.34 13.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.438 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 41.9 t80 -74.54 113.79 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -121.05 42.42 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -98.03 -154.02 29.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.57 170.24 46.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -113.73 49.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 106' ' ' SER . 60.5 p -137.96 131.82 31.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.461 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 20.9 ptt180 -35.87 -33.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' THR . 26.1 m -56.71 -58.9 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.45 -56.15 16.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.42 HG23 ' CZ3' ' A' ' 47' ' ' TRP . 32.4 mt -43.83 -42.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 105' ' ' ARG . 89.6 t -72.12 -46.31 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.5 t -49.6 -46.13 48.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -56.33 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.61 -35.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.59 -46.3 83.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -53.41 -45.0 69.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.87 -39.67 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 10.8 t80 -42.2 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -48.06 -56.66 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -44.13 -43.28 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -87.91 -74.77 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.545 ' HB2' ' CD1' ' A' ' 116' ' ' PHE . . . -56.04 154.55 14.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.556 0.693 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 110.85 2.66 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.712 2.274 . . . . 0.0 112.349 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.73 52.32 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 171.32 14.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.228 . . . . 0.0 112.354 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 92.29 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.4 mp -136.23 166.43 23.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.25 84.34 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -161.47 147.08 13.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.1 t -65.15 158.2 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -97.66 -157.29 30.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 131' ' ' SER . 53.7 Cg_endo -69.75 -0.03 6.32 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 130' ' ' PRO . 5.7 t -38.21 -55.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 t 61.91 51.12 3.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.495 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -56.98 135.53 56.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 p -84.56 110.62 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.74 159.32 22.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.431 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -120.96 -52.4 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -91.95 -43.57 9.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.88 -146.25 4.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -93.01 8.85 38.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 2.4 t -61.62 114.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -92.12 151.51 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -113.76 129.25 56.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -115.16 169.18 9.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 m -126.69 161.88 27.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -43.21 -44.9 5.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -95.12 -13.19 25.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -104.82 15.8 27.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.529 ' CD2' HD11 ' A' ' 75' ' ' LEU . 2.0 t80 -90.21 -35.5 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -86.21 -50.83 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.22 -14.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.455 ' O ' ' NE1' ' A' ' 28' ' ' TRP . 6.9 m-80 -105.7 -26.97 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.503 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 52.4 t -103.04 -63.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' O ' ' CE ' ' A' ' 92' ' ' LYS . 16.3 mt -59.48 -59.78 4.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -14.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -105.7 127.87 53.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -74.83 -4.12 35.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.95 156.23 19.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.529 ' CG2' ' CG ' ' A' ' 119' ' ' ASN . 54.2 t -76.02 130.91 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 42.7 m95 -119.47 120.2 36.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 mtp -94.79 105.18 17.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.532 HG11 ' CE1' ' A' ' 32' ' ' PHE . 99.3 t -90.76 129.82 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -126.52 100.76 6.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.532 ' CE1' HG11 ' A' ' 30' ' ' VAL . 58.3 m-85 -74.59 112.34 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.1 p90 -116.73 168.02 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.01 132.52 24.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 70' ' ' THR . 53.5 Cg_endo -69.74 -3.96 13.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 -126.08 10.11 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.2 t -103.28 141.98 34.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -73.23 -57.95 4.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.45 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . 51.3 m-70 -36.35 -40.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -66.16 -57.2 8.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -40.39 -37.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -84.11 -29.86 26.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' CYS . 43.0 tp -79.63 -16.78 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 tt0 -50.68 -58.62 9.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.76 -25.34 28.69 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -75.77 -30.63 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -82.71 -37.61 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -60.25 -47.18 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.77 -47.66 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.47 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.81 87.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -72.63 -34.09 67.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.65 -27.48 60.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -83.46 -36.84 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -74.36 -18.76 60.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -89.47 -29.31 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.508 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 30.5 mt-30 -91.97 -27.65 17.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.3 p -102.9 8.93 39.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.18 34.58 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.73 -6.18 66.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HG2' ' CB ' ' A' ' 120' ' ' ALA . 41.8 tptt -53.86 -63.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.7 t -83.19 110.52 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 32.1 mttp -93.71 157.62 16.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -129.01 121.8 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.61 171.76 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' C ' HG21 ' A' ' 67' ' ' VAL . . . -132.09 155.77 47.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.405 HG21 ' C ' ' A' ' 66' ' ' ALA . 67.0 t -140.84 130.78 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.0 104.5 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . . . -60.96 -9.51 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 35.8 p -84.15 -25.26 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.143 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.64 -21.49 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -96.9 112.78 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -114.65 -35.47 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.49 -38.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.529 HD11 ' CD2' ' A' ' 17' ' ' PHE . 13.2 mt -90.25 -52.41 4.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.23 -40.7 34.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.5 t -76.37 -20.86 56.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.473 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 47.0 ttt-85 -69.79 -44.4 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.473 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 10.7 m-85 -103.56 -19.06 14.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.9 38.17 7.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.68 102.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -123.66 -31.21 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.11 101.4 2.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -98.69 153.97 37.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.909 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.76 164.16 79.97 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.381 0.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -141.52 105.25 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.7 mt -95.19 122.92 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -130.87 136.55 48.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 90' ' ' PHE . 4.1 mp -105.4 137.39 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 79.0 m-85 -127.09 128.34 46.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -125.86 129.46 49.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.461 ' CE ' ' O ' ' A' ' 22' ' ' LEU . 17.4 tptp -56.7 127.07 29.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.48 -48.54 1.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.442 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -92.29 156.95 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 64.1 p -74.04 148.61 86.87 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.1 Cg_endo -69.71 146.11 59.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.87 172.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -111.91 114.29 27.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.451 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 19.4 t80 -72.6 143.08 48.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -156.38 149.41 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 131.01 -137.27 9.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.79 148.41 46.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -111.35 38.84 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 106' ' ' SER . 74.4 p -119.99 137.23 54.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 104' ' ' THR . 25.6 ptt-85 -35.4 -33.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' THR . 2.5 t -57.08 -57.66 11.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -68.21 -54.26 19.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.8 mt -44.01 -37.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.508 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 54.9 t -76.5 -46.72 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.9 t -46.31 -45.68 17.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 114' ' ' ASP . 12.8 tpp180 -62.47 -62.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -34.12 -39.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.2 mt -68.52 -48.42 64.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 111' ' ' ARG . 1.6 m-20 -48.39 -34.7 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 mt -87.57 -45.64 10.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CD1' ' HB1' ' A' ' 120' ' ' ALA . 16.5 t80 -44.29 -55.38 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' PHE . 68.5 m -34.48 -45.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 119' ' ' ASN . 15.9 t70 -84.81 -67.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.529 ' CG ' ' CG2' ' A' ' 27' ' ' VAL . 38.6 m-80 -34.7 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.566 ' HB1' ' CD1' ' A' ' 116' ' ' PHE . . . -61.51 165.63 6.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.534 0.683 . . . . 0.0 111.123 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.81 114.61 3.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.646 2.231 . . . . 0.0 112.357 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 155.27 66.55 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 125' ' ' LEU . 53.5 Cg_endo -69.82 167.03 25.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -47.51 93.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 123' ' ' PRO . 0.6 OUTLIER -134.81 140.51 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 126' ' ' LEU . 4.1 pp -51.67 149.99 4.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -81.61 116.73 21.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.3 t -60.15 -40.36 89.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.04 178.38 20.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -10.11 27.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.9 t 72.61 38.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.3 t -77.12 -46.86 22.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -124.19 100.95 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -167.34 147.2 5.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.03 39.25 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m 61.73 38.63 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.3 m -174.84 116.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.0 -145.42 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.9 27.15 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.9 129.39 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.472 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 28.9 mt -96.03 135.88 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -99.57 128.31 45.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.1 mt -121.23 163.51 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -126.81 178.69 5.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -58.94 -22.51 60.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.55 -23.73 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -99.98 17.35 21.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -100.38 -30.7 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -52.75 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -62.46 -8.99 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -105.72 -26.09 11.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.7 t -101.71 -57.35 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.41 -30.0 71.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -76.87 6.89 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -134.68 138.72 44.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -88.56 25.63 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.18 158.08 21.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.9 t -71.88 129.21 35.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.472 ' CZ3' HD11 ' A' ' 10' ' ' ILE . 40.8 m95 -118.96 111.32 18.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.62 112.46 21.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.481 HG11 ' CE1' ' A' ' 32' ' ' PHE . 58.5 t -101.12 110.61 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 86' ' ' THR . 4.7 tp10 -109.29 104.62 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.481 ' CE1' HG11 ' A' ' 30' ' ' VAL . 55.4 m-85 -74.62 124.73 27.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.566 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 1.5 p90 -135.67 162.73 31.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.09 138.64 30.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.636 0.731 . . . . 0.0 111.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -14.53 36.19 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.311 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -110.63 7.37 22.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -103.42 127.11 50.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.26 -56.69 23.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.464 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . 24.2 m80 -38.83 -41.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -67.1 -52.96 35.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -45.55 -44.41 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -76.5 -29.26 56.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -79.6 -19.35 49.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.509 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tt0 -41.87 -58.42 3.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.683 0.754 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.75 -43.76 2.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.55 -31.49 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -87.08 -32.76 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.72 -50.23 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.4 76.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.31 -43.05 61.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -38.47 70.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -78.01 -41.8 34.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.29 -24.84 65.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t -85.35 -48.13 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -65.0 -20.9 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.14 -30.17 22.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -89.83 -26.58 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.523 ' HA ' ' CE1' ' A' ' 116' ' ' PHE . 48.1 p -99.26 5.15 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 61.84 27.42 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.16 -13.81 66.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 119' ' ' ASN . 0.1 OUTLIER -50.54 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.454 ' CG2' HG23 ' A' ' 58' ' ' THR . 42.1 t -79.97 106.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HE2' ' CZ2' ' A' ' 28' ' ' TRP . 17.0 mtpp -95.55 154.45 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -122.93 121.78 36.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.6 152.98 45.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.71 156.55 25.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 68' ' ' ASP . 95.1 t -143.97 137.9 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 67' ' ' VAL . 53.5 t0 -89.08 106.57 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.31 -11.78 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.4 p -84.67 -20.85 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.7 t -110.79 -35.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -90.15 109.36 20.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -106.87 -39.44 5.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.5 t -54.85 -40.98 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD11 ' CD2' ' A' ' 17' ' ' PHE . 5.4 mt -83.24 -48.83 10.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.89 -40.89 44.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.3 t -78.11 -39.06 42.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -49.43 -51.94 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -100.52 -18.86 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.43 80.74 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.2 mm -109.11 107.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -124.8 -24.89 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.32 98.5 1.37 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -98.22 154.19 37.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.861 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.71 162.23 84.42 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.357 -0.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.442 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 2.5 m -138.16 108.08 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 mt -98.43 121.7 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -133.22 130.11 38.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.483 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 3.6 mp -92.09 140.24 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -125.59 106.61 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -93.81 163.72 13.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -92.08 110.28 21.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.61 -43.61 1.66 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -98.35 158.5 15.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 p -68.24 151.08 97.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.7 57.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.483 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 15.6 m -103.5 172.81 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -113.25 112.02 23.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -79.59 133.5 36.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -148.78 132.24 16.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 152.72 -131.88 3.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.48 147.59 42.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.424 ' HD3' ' CG ' ' A' ' 85' ' ' PRO . 30.4 mtt85 -110.02 33.64 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 106' ' ' SER . 44.3 p -119.15 135.92 54.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 104' ' ' THR . 28.9 ptt180 -34.63 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 104' ' ' THR . 4.8 t -56.1 -57.63 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -70.82 -51.67 25.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.6 mt -47.37 -37.85 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 36.0 t -78.77 -47.22 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 t -49.07 -34.27 13.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -74.32 -51.64 14.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.81 -37.35 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.47 -53.38 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -43.93 -35.89 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.0 mt -88.24 -42.07 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 22.5 t80 -42.79 -35.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.3 t -74.35 -50.33 19.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -44.02 -46.57 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -96.0 -75.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 116' ' ' PHE . . . -57.74 143.08 77.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.085 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 123.54 10.22 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.258 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 164.23 35.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.33 20.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.258 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -86.18 99.9 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -119.89 150.98 39.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.9 tp -78.04 144.16 36.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -47.04 135.08 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 43.5 m -142.06 146.0 34.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -149.69 -163.72 11.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 160.56 49.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.254 . . . . 0.0 112.374 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 45.3 t -152.23 106.5 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 t -86.82 127.71 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -80.76 104.04 11.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -59.0 91.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.05 -151.13 43.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -130.35 41.23 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.375 . . . . 0.0 110.826 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -147.89 175.42 10.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.02 -140.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -85.64 28.25 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 41.1 t -78.98 125.85 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.4 mt -97.1 143.24 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -101.93 136.72 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -120.98 173.63 7.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.85 173.23 10.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -65.57 -12.24 51.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -116.91 -44.14 2.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -72.23 -23.13 61.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.515 ' CD2' HD12 ' A' ' 75' ' ' LEU . 1.3 t80 -44.41 -40.84 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -36.54 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 22.4 mmmt -63.61 -18.07 63.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -105.89 -34.83 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.0 t -83.63 -64.93 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.49 -37.35 78.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 19' ' ' LYS . 31.1 t0 -65.95 -4.81 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -125.81 134.45 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -84.59 28.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -118.48 158.03 26.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.532 ' CG2' ' ND2' ' A' ' 119' ' ' ASN . 39.7 t -71.0 126.5 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -116.31 111.12 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 mtp -82.86 102.02 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.468 HG22 ' CE1' ' A' ' 90' ' ' PHE . 20.6 t -91.9 122.5 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -120.73 127.66 52.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -98.69 122.2 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 4.6 p90 -129.98 169.92 14.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.12 130.71 24.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.523 0.678 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.68 19.17 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -121.99 16.28 10.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.2 t -117.0 123.91 48.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.33 -34.59 85.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -54.14 -20.37 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -95.68 -51.5 4.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -42.41 -29.56 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.33 -29.53 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' CYS . 9.9 tp -80.51 -23.99 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tp10 -35.94 -59.98 0.72 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.693 0.759 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.2 Cg_endo -69.78 -38.79 7.28 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.319 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.35 -31.68 67.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -85.05 -38.45 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -58.89 -57.61 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.68 -52.23 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' O ' ' CG2' ' A' ' 54' ' ' VAL . . . -47.99 -38.52 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.1 86.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -68.09 -42.6 80.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' CG ' HG13 ' A' ' 109' ' ' VAL . 8.6 tp10 -66.0 -31.26 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 50' ' ' ALA . 97.6 t -80.67 -39.19 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -68.44 -34.3 75.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.93 -30.51 61.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.423 ' CD ' HD22 ' A' ' 113' ' ' LEU . 31.8 mt-30 -84.38 -56.22 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.556 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 19.9 p -73.8 3.93 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm 62.1 31.23 17.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.02 -11.59 66.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -68.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.3 t -77.87 103.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -88.96 152.15 21.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.48 125.29 47.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.88 164.34 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.26 161.02 27.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.7 t -143.31 141.85 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.0 103.17 15.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.83 -12.05 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.0 p -83.95 -14.39 51.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.4 t -119.33 -35.93 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -86.98 109.51 19.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -106.1 -39.24 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -53.59 -50.34 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 17' ' ' PHE . 12.0 mt -73.28 -50.11 23.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.05 -35.1 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -84.33 -26.66 28.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.452 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 18.2 ttt85 -64.08 -41.78 97.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.452 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 39.6 m-85 -111.24 -22.52 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.33 75.13 1.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.1 mm -99.87 102.23 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -124.86 -29.11 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.38 101.18 1.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -98.95 153.91 37.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.901 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.4 Cg_endo -69.85 163.95 80.73 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.346 0.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.3 m -140.87 106.55 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 mt -97.0 126.8 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -132.24 139.89 48.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.465 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.8 mp -106.9 137.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.468 ' CE1' HG22 ' A' ' 30' ' ' VAL . 3.1 m-85 -126.69 134.32 50.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -132.45 128.76 38.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -50.15 145.24 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.88 12.98 16.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -139.93 161.32 37.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.5 p -86.73 146.36 41.08 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 141.66 45.76 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.465 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 6.6 m -108.51 161.11 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 1.6 p-10 -103.65 111.7 24.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -68.11 135.87 52.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -140.36 118.58 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 159.76 -140.48 6.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.99 131.03 10.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -84.52 32.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 75.0 p -105.23 135.67 46.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -38.6 -35.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.2 m -53.42 -57.94 8.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -72.68 -52.16 16.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.7 mt -43.7 -39.27 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.42 HG13 ' CG ' ' A' ' 53' ' ' GLU . 41.5 t -76.75 -48.05 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.8 t -48.11 -42.82 30.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -63.84 -62.5 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.05 -32.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.423 HD22 ' CD ' ' A' ' 57' ' ' GLN . 87.2 mt -67.93 -48.17 66.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -51.09 -40.62 58.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.44 -47.96 18.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.672 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 29.5 t80 -45.64 -38.2 6.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.9 p -52.94 -42.08 65.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -80.53 -57.87 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.532 ' ND2' ' CG2' ' A' ' 27' ' ' VAL . 17.8 m-80 -48.23 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.672 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . . . -69.73 147.97 96.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 111.113 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 138.86 38.86 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.355 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 165.72 29.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.388 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -173.43 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -81.6 90.39 6.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.38 170.0 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 tp -128.06 71.69 1.38 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -170.41 172.89 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.8 t -72.85 -53.67 10.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 71.05 85.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 104.19 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.0 t -151.19 178.05 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 133' ' ' GLY . 1.8 m 57.85 44.34 20.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.832 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 132' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -109.95 126.12 53.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -131.12 165.23 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.61 87.78 0.94 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -59.21 -50.78 72.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -106.54 -51.41 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.17 -141.61 3.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 27.2 t70 -98.18 26.02 5.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.83 0.348 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 t -78.91 127.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 11' ' ' GLU . 77.5 mt -103.12 144.04 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' N ' HG21 ' A' ' 10' ' ' ILE . 11.8 tt0 -104.3 120.57 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.2 mt -104.6 172.98 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -129.73 170.11 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -55.72 -27.03 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -109.2 -43.98 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -59.61 -34.07 72.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -50.79 -19.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -86.19 -56.06 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -71.65 -3.05 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.518 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 4.1 m-80 -104.85 -33.26 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.1 t -104.54 -60.08 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.81 -56.56 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.38 -10.31 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -107.22 107.76 18.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -56.54 -15.13 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.85 158.06 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.9 t -75.36 137.64 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.518 ' CE2' ' O ' ' A' ' 20' ' ' ASN . 24.7 m95 -124.69 117.71 24.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.7 mtp -94.23 104.73 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.9 t -90.15 127.55 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.551 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 6.4 tp10 -123.19 98.01 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -70.56 125.85 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 4.7 p90 -133.9 166.86 21.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.18 130.33 24.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -11.26 30.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -115.76 17.39 16.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 t -121.65 138.66 54.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' CYS . . . -68.25 -48.0 55.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -43.47 -22.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.443 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.5 OUTLIER -91.39 -47.93 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -50.8 -33.14 22.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.26 -25.84 29.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.0 tp -82.12 -19.13 40.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 5.0 tp10 -41.87 -60.26 2.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.7 -37.63 9.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.382 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -60.48 -32.51 71.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.551 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 52.8 t-105 -86.76 -41.21 14.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.91 -53.78 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -50.29 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.69 -53.36 7.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.89 -39.58 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -73.3 -35.23 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -77.86 -24.04 48.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.477 ' O ' ' CG2' ' A' ' 58' ' ' THR . 55.2 t -80.3 -41.48 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -74.68 -25.26 59.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.08 -25.0 43.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.466 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 32.5 mt-30 -98.86 -37.58 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.484 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 9.1 p -86.15 11.26 12.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt 60.77 25.13 14.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.79 -1.55 85.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -61.21 -74.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.7 t -70.12 108.61 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -95.09 154.33 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -121.12 120.23 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.93 165.0 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.98 154.61 42.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.4 t -135.3 138.5 48.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -90.6 94.66 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.51 -15.49 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.7 p -76.44 -27.5 56.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.7 -38.33 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.2 108.88 16.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -105.67 -37.58 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.32 -47.48 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.72 -56.58 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.76 -44.91 28.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.8 t -72.59 -26.68 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -67.41 -43.86 80.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -101.7 -15.64 16.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 78.69 53.83 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.6 mm -84.97 102.87 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.68 -23.09 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.11 102.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.528 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -101.04 153.98 37.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.79 166.09 75.05 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.304 0.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.0 m -141.88 106.87 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.3 mt -98.04 113.2 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -123.99 143.58 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -106.02 143.96 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.485 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 29.0 m-85 -133.53 131.31 39.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -123.21 162.36 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.93 139.19 37.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 60.72 15.88 43.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -136.79 176.43 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.377 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -100.48 150.32 36.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.686 0.755 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.485 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.4 Cg_endo -69.82 146.11 58.83 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.0 m -119.63 166.38 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.17 117.35 32.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.448 ' HH ' ' N ' ' A' ' 108' ' ' ILE . 75.3 t80 -53.46 161.92 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.424 ' N ' ' CG ' ' A' ' 99' ' ' TYR . 14.1 t0 -57.34 -63.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.53 -6.9 1.27 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.57 97.14 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 ttp-105 -78.26 48.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ARG . 24.6 p -147.7 129.05 14.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' THR . 22.3 ptt180 -37.09 -37.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.6 m -55.34 -55.58 29.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -70.72 -54.02 13.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.503 HG23 ' CZ3' ' A' ' 47' ' ' TRP . 49.4 mt -45.22 -43.09 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.466 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 78.6 t -77.64 -47.27 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.0 t -47.99 -35.03 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -47.32 16.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.99 -40.25 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.66 -40.69 79.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.5 -41.82 77.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.6 -33.79 62.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.643 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 46.3 t80 -48.62 -67.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' ASP . 71.2 m -49.4 -52.99 24.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' SER . 5.3 m-20 -36.28 -45.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.82 -74.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.643 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . . . -45.81 142.29 3.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.522 0.677 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 164.07 35.89 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.52 45.63 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.343 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 105.82 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.24 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.85 172.49 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.14 172.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 126' ' ' LEU . 2.0 pt? -146.05 150.82 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -145.38 133.02 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.7 t -122.22 125.86 46.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -86.04 -156.97 28.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.81 33.01 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.6 p -65.85 106.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.1 m -139.72 159.06 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -103.31 105.09 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -114.65 168.14 10.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.66 -83.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.539 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 p -92.58 42.91 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 m -140.78 168.63 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.63 -125.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -113.86 16.23 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -68.03 142.63 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.406 ' CD1' ' NZ ' ' A' ' 63' ' ' LYS . 77.7 mt -113.38 135.74 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -97.54 128.62 44.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 mt -119.78 166.16 13.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' PHE . 10.5 m -128.43 166.55 18.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.191 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -46.19 -35.92 5.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -100.43 -31.46 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.2 t -89.22 15.24 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.62 -29.31 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.6 -44.6 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -72.77 -6.92 47.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -103.39 -33.0 9.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -99.73 -57.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.86 -35.46 74.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.87 0.52 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 t -125.48 142.2 51.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -94.23 30.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.41 157.79 25.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.4 t -71.67 123.37 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 49.4 m95 -114.19 111.11 21.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.3 mtp -88.02 99.05 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.1 t -89.77 119.84 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' CD ' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -115.1 106.52 14.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -77.52 135.53 38.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.6 p90 -144.01 163.95 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -122.11 138.15 28.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.96 22.38 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -120.58 19.94 11.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.7 t -116.29 121.5 42.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.68 -43.88 73.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -51.57 -19.25 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 67.3 m -96.11 -47.1 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -48.36 -33.1 8.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -76.66 -27.55 55.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 103' ' ' ARG . 10.8 tp -84.74 -19.99 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.509 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 tt0 -38.73 -58.57 1.61 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.611 0.719 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.78 -32.14 19.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -66.91 -28.01 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -87.23 -39.39 15.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.91 -60.84 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.1 -53.84 37.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' CB ' ' HA ' ' A' ' 105' ' ' ARG . . . -44.69 -52.8 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.54 -33.35 6.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -80.39 -46.2 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -67.02 -22.11 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -86.27 -43.45 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -68.99 -21.79 64.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -82.87 -40.96 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.564 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 36.6 mt-30 -78.62 -43.7 25.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 p -82.41 9.84 8.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt 56.43 26.16 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.49 -7.68 79.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -52.34 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 t -82.61 104.9 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 3.2 mtpm? -91.46 154.99 18.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mp -121.4 129.85 53.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.93 162.99 31.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.45 168.95 12.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.3 t -154.51 139.72 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.02 99.83 12.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.5 -18.06 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 64.3 p -71.55 -27.51 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.2 t -110.04 -29.03 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -88.33 107.27 18.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -108.49 -33.35 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.3 -39.98 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.484 HD12 ' CD2' ' A' ' 17' ' ' PHE . 11.3 mt -85.84 -55.14 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.99 -27.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -85.01 -39.7 17.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.0 ttt-85 -54.19 -47.99 71.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 88' ' ' LYS . 2.8 m-85 -100.34 -21.54 15.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.76 40.09 8.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.9 mm -64.53 104.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.777 0.322 . . . . 0.0 111.166 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -129.57 -30.46 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.84 93.81 1.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -94.18 153.99 40.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.76 153.65 93.03 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.374 0.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 32.2 m -132.35 123.86 27.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.1 mt -116.87 134.56 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 79' ' ' TYR . 15.3 mmtp -140.22 136.23 33.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 99' ' ' TYR . 4.0 mp -101.56 134.04 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.428 ' N ' HG21 ' A' ' 89' ' ' ILE . 84.1 m-85 -118.95 114.52 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -110.67 115.84 30.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -56.95 111.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.92 -46.27 1.09 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -120.87 171.25 8.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 p -61.2 155.48 56.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 176.2 7.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 98' ' ' ASP . 39.8 t -131.16 160.48 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.533 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 6.0 p-10 -116.09 105.73 12.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 49.8 t80 -79.67 126.59 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -133.57 69.25 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -123.84 -151.83 8.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -80.05 7.03 57.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.5 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER 38.83 25.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.815 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 102' ' ' GLY . 74.7 p -97.52 136.11 38.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.476 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 19.1 ptt180 -37.81 -33.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.4 m -69.42 -45.12 69.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.3 m-20 -78.57 -52.26 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.3 mt -48.62 -46.76 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.564 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 76.3 t -64.7 -46.27 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -56.34 -26.63 53.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -85.62 -58.47 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.01 -42.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.0 mt -57.72 -47.75 81.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -44.63 -46.89 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.64 -46.22 55.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CD1' ' HB2' ' A' ' 120' ' ' ALA . 69.6 t80 -39.37 -55.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.2 p -54.0 -41.31 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -58.67 -64.2 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -74.82 -74.94 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.551 ' HB2' ' CD1' ' A' ' 116' ' ' PHE . . . -67.98 154.0 94.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 111.146 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 153.54 68.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.697 2.264 . . . . 0.0 112.332 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 154.34 68.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 124' ' ' GLU . 53.4 Cg_endo -69.81 -179.46 2.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.264 . . . . 0.0 112.283 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 123' ' ' PRO . 7.7 pt-20 37.44 52.56 1.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.544 ' CD2' ' C ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -70.07 -175.11 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.58 97.49 5.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -78.69 -45.22 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.1 t -40.93 126.32 2.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -43.05 138.7 3.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -35.82 11.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -92.18 167.37 12.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.8 m -91.59 -43.55 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -155.61 178.61 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -126.18 112.33 15.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.19 44.07 97.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -120.49 -178.65 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -92.26 55.22 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.17 -138.24 14.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -71.65 -22.25 61.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.4 t -57.43 110.33 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.5 mt -91.7 141.43 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.174 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -103.24 137.21 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -120.4 163.12 18.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 m -125.55 164.46 20.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.74 -38.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -101.58 -20.16 15.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -95.63 16.01 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 1.9 t80 -96.39 -34.5 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -91.2 -53.31 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -55.23 -15.27 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.465 ' ND2' ' HD2' ' A' ' 19' ' ' LYS . 45.4 m-80 -103.45 -24.3 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' CB ' ' A' ' 28' ' ' TRP . 80.7 t -104.48 -63.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.53 -48.07 83.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -76.98 7.69 4.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -122.79 129.19 51.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.46 34.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -125.31 158.26 34.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -81.0 123.28 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CB ' HG23 ' A' ' 21' ' ' VAL . 72.3 m95 -114.19 116.12 28.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.3 mtp -94.01 99.07 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.2 t -82.57 125.78 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.511 ' OE2' ' CE3' ' A' ' 47' ' ' TRP . 7.8 tt0 -123.32 92.48 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -63.53 128.65 36.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.535 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 2.3 p90 -140.11 164.35 30.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.04 135.97 26.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -12.88 33.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -114.91 13.2 17.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.9 t -111.09 108.52 18.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.69 -48.58 7.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -41.25 -50.69 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.535 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 1.4 t -56.56 -55.55 32.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -43.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -75.28 -28.57 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.499 ' CD2' ' OE2' ' A' ' 31' ' ' GLU . 50.3 tp -80.45 -22.17 41.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.3 tt0 -45.92 -59.5 4.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.684 0.754 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.78 -30.99 21.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.82 -28.4 66.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.511 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 53.1 t-105 -89.39 -40.96 12.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.53 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.63 75.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.19 -45.03 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -45.16 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -70.57 -34.4 72.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -76.17 -24.54 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.7 t -85.1 -38.75 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -73.04 -30.83 64.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -75.92 -29.53 58.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -89.47 -41.9 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.488 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 39.8 p -84.23 21.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 47.71 29.41 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.11 28.81 55.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HG2' ' CB ' ' A' ' 120' ' ' ALA . 25.7 tptt -92.27 -44.56 8.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.6 t -96.64 113.61 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -97.81 148.95 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.0 mp -117.32 119.35 34.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.28 164.85 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.97 149.53 52.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.3 t -140.87 149.89 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -102.16 111.01 23.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.47 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -61.02 -8.91 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -82.87 -29.3 29.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.5 p -107.5 -27.92 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -95.38 112.79 24.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -111.09 -40.36 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -53.67 -37.7 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.08 -47.92 9.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.478 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -50.09 -43.28 51.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -75.33 -42.52 54.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -43.58 -51.3 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -105.14 -22.7 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 88.98 81.91 1.3 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.454 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.3 mm -109.16 99.87 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 111.158 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -123.57 -19.73 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.17 98.13 1.07 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -96.56 153.88 38.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.726 . . . . 0.0 110.89 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.73 161.27 86.43 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.326 -0.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.84 112.69 8.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -106.14 124.98 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -136.0 139.16 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.469 ' HB ' ' CG1' ' A' ' 97' ' ' VAL . 5.1 mp -103.33 137.9 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 96' ' ' PRO . 97.9 m-85 -125.81 107.67 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' CD ' HG21 ' A' ' 89' ' ' ILE . 22.0 mp0 -93.96 128.97 40.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -61.0 115.81 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.411 ' N ' ' HD2' ' A' ' 92' ' ' LYS . . . 101.71 -38.9 2.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -96.42 176.45 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m -85.69 155.27 59.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.451 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.73 175.12 8.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.469 ' CG1' ' HB ' ' A' ' 89' ' ' ILE . 8.1 p -144.73 167.49 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -110.1 106.1 15.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -65.67 129.96 41.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -140.17 128.72 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 162.45 -129.62 2.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.47 155.64 21.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 2.3 ttp-105 -101.9 50.1 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.842 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ARG . 65.4 p -137.89 137.22 37.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' THR . 14.6 ptt85 -36.41 -37.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 m -49.82 -58.71 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -67.84 -54.56 18.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.8 mt -43.74 -40.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 82.9 t -73.27 -47.92 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.3 t -45.45 -47.15 13.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 114' ' ' ASP . 5.5 tpp85 -63.17 -59.55 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -36.89 -37.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.4 mt -70.56 -42.58 70.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 111' ' ' ARG . 7.4 m-20 -51.82 -38.67 56.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.9 mt -83.62 -38.79 21.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.693 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 31.3 t80 -53.99 -30.98 49.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.3 p -86.34 15.68 5.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.97 -30.94 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -115.23 -54.6 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.693 ' CB ' ' CD1' ' A' ' 116' ' ' PHE . . . -49.09 157.58 0.8 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.543 0.687 . . . . 0.0 111.144 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.93 17.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 160.69 48.76 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.321 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -173.25 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.315 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -39.25 143.55 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.8 pt? -148.25 171.03 16.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 125' ' ' LEU . 34.8 mt -37.57 107.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.07 159.64 44.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 54.2 p -101.7 125.8 48.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -69.57 120.9 10.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -172.87 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 78.7 p -98.87 155.52 17.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 59.1 p -105.26 41.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.806 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t 61.64 42.67 10.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -89.35 87.02 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.93 156.36 6.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -99.01 42.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 p -105.31 -53.31 2.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.72 -114.07 2.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.428 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 10.4 t70 -83.42 -26.32 30.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.16 119.68 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.8 mt -101.88 133.2 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -91.94 129.92 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.452 HD23 ' ND2' ' A' ' 20' ' ' ASN . 29.8 mt -112.21 177.32 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -133.4 173.15 11.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.14 -64.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -85.95 24.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 24.9 m -126.75 -29.99 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -50.45 -23.64 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -95.99 -19.21 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 6.9 ptmt -91.11 -11.72 37.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 16' ' ' SER . 2.9 p30 -106.29 -33.4 7.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.52 -66.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 mt -53.82 -46.93 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -54.18 -14.88 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -121.83 137.69 54.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.03 28.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.5 158.11 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.2 123.45 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -113.96 110.96 20.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.7 mtp -84.1 99.67 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.2 t -89.68 124.2 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' OE2' ' C ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -123.66 126.2 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -97.59 121.8 39.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 7.2 p90 -127.65 169.84 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.1 131.59 24.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -10.33 28.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -118.76 19.12 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.9 t -116.36 142.62 46.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -69.96 -57.66 6.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' GLY . 87.1 m-70 -34.42 -48.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.7 t -59.71 -56.11 25.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -40.93 -33.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -86.02 -30.64 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' CYS . 32.5 tp -80.15 -14.18 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.2 tt0 -53.41 -60.06 7.89 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.645 0.736 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.0 Cg_endo -69.76 -28.99 24.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.49 -38.61 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.493 ' CZ3' HG21 ' A' ' 108' ' ' ILE . 55.7 t-105 -77.17 -42.44 37.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.53 80.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.19 -54.73 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.18 -47.74 12.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 8' ' ' ASP . . . -47.47 -43.38 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -69.83 -45.59 67.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.14 -24.62 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.428 HG13 ' CB ' ' A' ' 112' ' ' ALA . 94.3 t -84.61 -39.99 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -65.25 -36.27 83.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.51 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 27.9 mt-30 -79.84 -35.94 37.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.552 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 30.4 p -96.98 1.41 50.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 61.95 29.75 17.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.45 -7.31 82.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' HG2' ' CB ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -56.43 -57.36 12.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.4 t -93.17 102.09 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -89.39 158.64 17.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mp -121.82 124.39 44.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.86 156.64 39.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.87 157.67 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.3 t -142.96 142.1 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.56 98.88 11.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.406 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -54.81 -14.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 p -76.09 -25.72 55.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.6 t -111.87 -36.97 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -82.29 108.4 15.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -107.56 -36.9 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.04 -41.32 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.43 -52.94 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.11 -43.37 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -73.18 -39.22 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -50.26 -49.38 53.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -100.96 -20.42 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 82.22 72.06 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mm -104.25 114.37 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -131.03 -31.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.25 94.83 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.528 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -93.82 154.65 40.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.89 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.73 160.86 87.24 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.383 -0.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.5 m -139.88 108.46 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 18.2 mt -98.69 124.22 51.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -131.81 131.37 42.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.4 mp -97.97 134.65 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 69.3 m-85 -118.16 129.42 55.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -119.01 139.04 52.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -63.88 111.37 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.98 -50.85 0.88 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -84.52 162.41 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.7 p -76.95 152.76 82.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.431 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.76 137.61 35.86 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.475 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 14.8 m -100.02 158.41 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.07 114.92 27.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.471 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 20.1 t80 -78.63 114.25 17.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -126.76 87.99 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -152.99 -161.88 10.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.462 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.03 157.42 35.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.463 ' CG ' HD13 ' A' ' 43' ' ' LEU . 15.9 ttp-105 -102.27 46.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.841 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 48.3 p -130.95 138.04 49.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -40.16 -39.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 t -50.14 -61.19 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.92 -55.51 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.493 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 25.5 mt -42.95 -43.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.51 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 72.2 t -70.94 -49.3 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.2 t -43.25 -47.21 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -60.86 -60.79 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.428 ' CB ' HG13 ' A' ' 54' ' ' VAL . . . -38.44 -34.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 57' ' ' GLN . 71.4 mt -69.36 -53.55 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -46.2 -36.97 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.7 mt -86.33 -42.84 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.556 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 12.7 t80 -43.94 -32.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -73.31 -47.02 46.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -47.95 -44.62 30.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -93.36 -69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.556 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . . . -74.42 152.58 87.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 147.72 63.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.302 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 167.67 23.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 2.267 . . . . 0.0 112.367 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.93 23.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -132.84 117.51 17.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 tp -172.93 162.13 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 126' ' ' LEU . 4.5 mm? -109.19 141.88 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -48.13 99.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 70.4 m -103.91 105.95 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -98.18 143.62 16.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.28 39.77 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.744 2.296 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.9 p -49.62 -42.68 45.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -152.35 137.65 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -40.56 104.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 m -96.56 -62.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.85 125.08 1.86 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 p -121.22 11.76 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -174.24 109.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.17 -119.1 9.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -119.31 10.25 11.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.96 120.49 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -92.73 139.64 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -97.48 129.27 44.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 mt -123.78 162.46 23.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.3 p -119.03 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -63.3 -20.51 65.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -107.29 -49.86 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -60.39 -25.64 66.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.799 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -58.78 -15.78 13.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -90.54 -49.95 6.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.2 OUTLIER -73.67 -6.55 47.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.497 ' O ' ' NE1' ' A' ' 28' ' ' TRP . 8.2 m-80 -103.69 -31.37 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.6 t -104.96 -62.71 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.39 -61.44 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.417 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 11.1 t70 -56.32 -14.07 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 t -98.95 133.91 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -90.53 27.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -123.83 158.07 32.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.06 125.56 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.497 ' NE1' ' O ' ' A' ' 20' ' ' ASN . 47.5 m95 -117.26 117.65 30.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.64 113.7 25.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -102.16 111.64 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 8.7 tm-20 -108.25 93.1 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -62.7 117.07 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.431 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 2.8 p90 -124.63 164.63 19.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.24 135.09 25.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 0.0 111.129 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -10.3 28.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.393 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -120.02 17.08 12.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.0 t -114.2 114.01 25.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -46.92 -55.01 8.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 38' ' ' GLY . 28.4 m170 -34.64 -53.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -54.63 -56.73 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -43.01 -42.85 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -74.99 -25.44 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' CYS . 28.9 tp -86.34 -17.35 34.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.8 tt0 -42.3 -58.34 3.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.74 -41.08 4.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.39 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.57 -31.69 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.439 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 57.8 t-105 -88.03 -37.71 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.24 92.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.51 -47.31 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.63 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.7 84.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -75.76 -29.79 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -81.25 -23.19 38.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 64' ' ' LEU . 69.6 t -86.11 -41.01 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -73.2 -19.6 61.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -87.24 -28.86 22.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -91.69 -45.52 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 26.4 p -77.5 8.09 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 61.04 25.6 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.35 -8.61 79.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -69.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.5 t -78.33 105.85 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -94.98 146.97 23.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.407 ' CD1' HG11 ' A' ' 54' ' ' VAL . 8.1 mp -112.88 126.65 55.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.68 171.93 11.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.51 142.23 45.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.3 t -129.87 152.13 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.97 109.85 22.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.543 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -68.34 -2.64 8.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.9 p -89.33 -25.77 21.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -112.77 -25.74 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -94.21 111.73 23.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -111.05 -37.36 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.4 t -50.74 -42.95 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' A' ' 17' ' ' PHE . 12.2 mt -84.02 -49.99 8.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -46.77 -43.38 18.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 t -76.28 -45.0 34.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -42.59 -49.02 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -106.02 -21.79 13.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 85.7 82.84 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.3 mm -113.21 103.63 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -125.67 -14.68 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.06 96.03 0.83 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.656 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -98.82 154.89 37.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.8 154.03 93.27 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.33 0.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.0 m -134.83 117.34 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.413 ' C ' ' HG2' ' A' ' 88' ' ' LYS . 17.2 mt -109.25 131.08 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 87' ' ' ILE . 23.6 mmtt -141.81 136.35 30.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -93.54 144.03 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -132.06 120.74 22.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.448 ' CB ' ' HB2' ' A' ' 94' ' ' GLU . 38.4 mt-30 -108.75 154.73 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -67.74 99.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.96 -40.78 2.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 91' ' ' GLN . 16.0 mt-10 -67.73 170.36 8.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.41 144.58 43.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.9 47.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 98' ' ' ASP . 23.7 t -110.94 166.88 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 6.2 m-20 -119.72 82.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -71.18 110.22 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -133.91 38.97 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -114.87 -145.4 8.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -41.55 129.89 3.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.462 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -104.32 45.19 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.92 155.66 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.409 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 22.5 ptt-85 -52.06 -32.39 34.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -62.32 -62.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.56 -56.55 18.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.1 mt -44.01 -42.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 105' ' ' ARG . 41.3 t -70.25 -51.02 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.8 t -44.59 -46.06 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ASP . 13.4 tpp180 -61.96 -62.04 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -35.47 -37.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.69 -47.94 61.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' ARG . 14.8 t70 -47.54 -36.31 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt -85.47 -46.37 10.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.681 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 20.9 t80 -49.43 -56.47 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 116' ' ' PHE . 22.2 t -34.52 -38.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.22 -61.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -43.18 -69.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.681 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . . . -46.84 167.87 0.14 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 0.0 111.123 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 120' ' ' ALA . 54.1 Cg_endo -69.77 148.37 64.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 168.32 21.89 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.268 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -165.33 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.378 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -105.58 35.29 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.518 ' CD2' ' C ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -164.81 163.27 21.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 125' ' ' LEU . 30.5 mt -85.19 126.38 33.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -130.22 -56.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 129' ' ' GLY . 4.6 t -135.66 145.28 46.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 128' ' ' SER . . . -35.61 103.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.547 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 177.65 5.37 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.6 t -136.8 153.74 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 62.5 m -127.6 177.18 6.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -103.27 174.67 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -94.2 -49.56 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.33 -59.39 0.27 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -108.39 42.49 1.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -81.98 -50.85 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.17 -166.17 27.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -98.8 34.3 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 47.5 t -88.07 100.82 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.4 mt -78.2 137.38 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -99.39 127.51 45.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.421 HD12 ' CB ' ' A' ' 65' ' ' ALA . 27.0 mt -120.31 166.16 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 39.9 p -132.7 172.55 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -45.92 -38.84 8.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.67 -39.08 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -84.0 17.44 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -100.88 -34.48 9.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.41 -54.64 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -12.98 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -104.04 -29.19 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.434 HG22 ' CB ' ' A' ' 28' ' ' TRP . 55.9 t -101.24 -65.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.068 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.9 mt -53.53 -45.84 69.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.2 7.81 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -120.97 110.99 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.05 -16.85 34.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.06 155.75 27.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.15 142.64 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.434 ' CB ' HG22 ' A' ' 21' ' ' VAL . 56.8 m95 -131.13 112.14 12.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.8 mtp -91.57 100.89 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.56 HG12 ' CE1' ' A' ' 32' ' ' PHE . 78.5 t -89.29 125.96 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.51 ' OE1' ' CE3' ' A' ' 47' ' ' TRP . 26.0 tt0 -121.13 109.1 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE1' HG12 ' A' ' 30' ' ' VAL . 47.5 m-85 -79.11 132.49 36.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 1.8 p90 -144.72 162.41 36.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.2 138.92 30.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 111.092 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.39 28.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.28 . . . . 0.0 112.341 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -114.78 21.59 14.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 t -123.05 120.46 33.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.3 -47.58 86.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -46.52 -20.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' LEU . 89.4 m -93.43 -51.04 5.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -44.22 -38.84 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -72.98 -29.8 63.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' CYS . 14.8 tp -83.29 -19.55 36.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.559 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.3 tp10 -44.21 -55.82 9.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.3 Cg_endo -69.72 -45.1 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -53.07 -44.69 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.51 ' CE3' ' OE1' ' A' ' 31' ' ' GLU . 65.7 t-105 -65.63 -43.33 89.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.435 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -56.01 -46.43 78.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.442 ' CB ' ' HD2' ' A' ' 105' ' ' ARG . . . -65.04 -46.59 80.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.72 -42.13 71.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.72 -50.52 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -66.18 -41.15 90.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -69.18 -23.23 63.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -84.57 -44.46 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 37.8 pttt -69.1 -24.71 64.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.76 -33.76 30.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.469 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 31.7 mt-30 -88.6 -28.48 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.7 p -100.13 19.49 16.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 51.61 25.94 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 80.0 22.48 63.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HG2' ' CB ' ' A' ' 120' ' ' ALA . 25.1 tptp -79.6 -56.99 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.43 111.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -94.45 146.72 23.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.471 HD22 ' CE2' ' A' ' 47' ' ' TRP . 7.7 mp -113.97 124.72 52.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.421 ' CB ' HD12 ' A' ' 12' ' ' LEU . . . -122.36 162.46 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.143 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.78 146.48 50.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 68' ' ' ASP . 47.2 t -137.47 144.82 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.456 ' N ' HG12 ' A' ' 67' ' ' VAL . 11.2 t0 -102.91 103.26 13.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.95 -18.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.0 p -71.8 -31.99 67.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.85 -31.51 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -87.15 109.86 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -107.53 -38.18 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.39 -41.47 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 17' ' ' PHE . 14.4 mt -81.51 -57.46 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -43.08 -39.51 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -79.47 -41.97 26.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.507 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -56.57 -51.3 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.507 ' CZ ' ' HD2' ' A' ' 78' ' ' ARG . 30.0 m-85 -93.11 -21.14 19.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 83.5 45.43 6.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.9 mm -74.83 110.51 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -131.17 -33.0 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.99 100.49 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.531 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -100.61 154.12 37.36 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.699 0.762 . . . . 0.0 110.86 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.75 162.36 84.26 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.39 0.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.2 m -138.63 110.34 7.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.196 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' A' ' 99' ' ' TYR . 27.4 mt -100.25 121.23 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.073 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -130.74 145.04 51.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.47 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.5 mp -114.16 141.25 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 69.6 m-85 -130.78 121.63 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -123.51 149.57 45.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -75.63 121.99 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.48 -43.07 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.43 167.83 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -81.53 159.16 67.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.674 0.749 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.543 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.4 Cg_endo -69.76 136.55 33.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.613 2.209 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 6.7 m -101.1 173.67 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -117.37 109.02 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.47 ' CD1' HD13 ' A' ' 87' ' ' ILE . 14.1 t80 -80.12 109.13 14.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -131.4 87.09 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.7 -153.69 6.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.77 138.91 5.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 18.0 ttp-105 -103.13 49.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 105' ' ' ARG . 51.6 p -140.91 136.21 32.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.442 ' HD2' ' CB ' ' A' ' 49' ' ' ALA . 18.8 ptt180 -36.14 -37.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 m -50.56 -58.39 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -69.77 -53.61 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.2 mt -42.44 -40.5 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.469 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 72.0 t -73.08 -48.5 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.9 t -46.41 -46.76 18.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -63.3 -50.71 68.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -43.92 -40.08 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.97 -43.2 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.01 -37.2 52.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 mt -85.63 -37.1 19.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.56 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 12.1 t80 -52.87 -57.4 10.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.5 m -56.89 -12.84 2.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -80.61 -62.07 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 120' ' ' ALA . 1.8 m-80 -85.5 -70.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.56 ' HB1' ' CE1' ' A' ' 116' ' ' PHE . . . -35.79 137.61 0.45 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 111.09 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 166.07 28.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 165.25 31.68 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 98.68 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.264 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -174.5 120.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.5 tp -166.38 156.19 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.0 tt -88.09 115.01 25.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.29 123.03 16.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.2 m -124.24 151.29 44.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -114.46 137.13 13.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 161.76 44.67 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.724 2.282 . . . . 0.0 112.368 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.1 m -96.7 143.09 27.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 22.4 t -125.05 158.58 33.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -108.82 -60.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -104.32 133.99 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.87 135.84 8.48 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -171.69 120.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -39.86 -44.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.16 -137.67 9.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -45.81 -38.76 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 10' ' ' ILE . 97.0 t -64.97 141.7 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.407 ' N ' HG13 ' A' ' 9' ' ' VAL . 62.5 mt -104.72 131.84 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -88.52 116.14 26.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 mt -113.26 157.85 21.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.1 p -113.01 -175.11 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.43 2.24 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -118.58 -52.1 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.408 ' HB2' ' ND2' ' A' ' 20' ' ' ASN . 3.8 p -70.73 -22.08 62.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -44.77 -37.57 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.437 ' CB ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -84.14 -41.92 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -69.24 -11.36 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 16' ' ' SER . 50.2 m-80 -106.03 -27.94 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.4 -66.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 18' ' ' ASP . 33.3 mt -58.6 -39.96 81.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.74 4.9 14.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -128.02 125.84 40.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.4 38.79 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.07 157.95 36.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.77 123.89 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -117.96 112.85 20.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.4 mtt -89.9 103.57 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -93.16 117.32 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.584 ' OE2' ' CE3' ' A' ' 47' ' ' TRP . 40.3 tt0 -118.1 106.74 13.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -77.51 122.79 25.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -127.4 163.36 24.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.21 129.73 24.82 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.598 0.713 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -4.25 13.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -125.01 26.79 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 t -125.72 114.52 18.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -59.34 -67.68 2.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' GLY . 2.4 t-80 -37.47 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLY . 1.7 t -84.9 -42.19 15.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' GLY . 8.2 ptmt -52.01 -35.43 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -67.2 -21.92 65.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' GLU . 3.4 tp -88.21 -30.9 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 tp10 -34.72 -58.1 0.71 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.636 0.731 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.77 -35.9 11.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.24 -32.05 72.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.584 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 67.5 t-105 -81.5 -43.28 19.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.36 -58.18 6.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.62 -53.5 51.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' VAL . . . -43.66 -55.18 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.2 -42.15 8.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -72.44 -39.81 67.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.465 ' HG2' ' CG1' ' A' ' 109' ' ' VAL . 7.8 tt0 -77.48 -14.58 59.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 50' ' ' ALA . 47.6 t -92.27 -42.6 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' GLY . 15.3 pttm -69.85 -31.56 69.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.89 -36.05 72.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.421 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 33.6 mt-30 -83.81 -44.09 14.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.451 HG22 ' CG2' ' A' ' 62' ' ' VAL . 72.6 p -80.38 12.94 2.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm 54.13 26.2 6.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 92.48 -15.14 63.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -48.44 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.451 ' CG2' HG22 ' A' ' 58' ' ' THR . 39.7 t -80.83 112.2 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -103.41 145.05 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -111.23 123.1 49.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.37 163.41 19.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.07 152.76 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 68' ' ' ASP . 59.6 t -139.97 141.49 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.415 ' N ' HG13 ' A' ' 67' ' ' VAL . 1.1 m-20 -93.81 94.73 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . . . -50.34 -17.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.9 p -68.09 -33.12 73.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.4 p -109.36 -34.5 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -80.66 108.84 14.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -111.51 -39.8 4.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.3 t -50.25 -38.89 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.546 HD13 ' CD2' ' A' ' 17' ' ' PHE . 15.1 mt -89.17 -54.0 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.16 -44.29 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -74.24 -43.34 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.551 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 15.3 ttt85 -41.75 -49.13 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 14.7 m-85 -101.5 -22.14 14.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.0 72.96 1.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.8 mm -97.47 99.23 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.343 . . . . 0.0 111.189 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -123.62 34.95 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.31 88.78 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.507 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -92.0 154.26 43.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.847 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.76 160.12 88.55 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.31 0.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.2 m -139.83 105.96 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.9 mt -98.33 116.72 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -127.24 129.68 48.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.469 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -96.0 139.27 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -125.33 125.48 43.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.415 ' NE2' HD23 ' A' ' 115' ' ' LEU . 76.2 mt-30 -116.11 141.65 47.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 118.11 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.26 -48.59 2.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -82.41 161.14 22.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.1 p -76.13 153.17 84.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.685 0.755 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.32 59.83 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.737 2.291 . . . . 0.0 112.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.469 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 18.9 m -117.8 144.43 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.22 110.9 22.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -61.74 143.63 55.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -132.36 -32.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.88 172.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -46.19 142.74 4.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -90.09 33.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.58 149.78 36.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -45.81 -37.36 6.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.7 m -57.97 -54.04 51.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -72.3 -53.73 11.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.3 mt -41.93 -47.64 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 53' ' ' GLU . 98.9 t -64.06 -49.18 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -42.53 -48.02 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 112' ' ' ALA . 7.4 tpp180 -62.38 -63.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -36.49 -38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.1 mt -64.82 -56.75 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 114' ' ' ASP . 37.5 t0 -47.02 -41.26 16.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.415 HD23 ' NE2' ' A' ' 91' ' ' GLN . 8.7 mt -76.37 -38.39 55.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 120' ' ' ALA . 30.3 t80 -50.76 -48.51 59.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.6 p -61.95 -31.74 72.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -62.26 -57.49 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -85.14 -65.58 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.571 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . . . -67.63 156.75 88.15 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.578 0.704 . . . . 0.0 111.128 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.23 6.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.73 20.72 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 178.61 4.38 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.737 2.291 . . . . 0.0 112.32 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -64.75 102.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 13.2 mt -121.22 128.81 52.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.26 82.99 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 39.96 48.51 2.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.1 t -46.51 -61.47 1.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.65 -98.25 1.05 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.43 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 131' ' ' SER . 53.1 Cg_endo -69.8 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.652 2.234 . . . . 0.0 112.374 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 130' ' ' PRO . 46.9 t -34.31 -58.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.3 p -114.42 123.79 50.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.506 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 6.3 m 36.18 43.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 110.883 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 m -137.4 163.16 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.85 -80.28 0.29 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m 59.79 44.31 14.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.377 . . . . 0.0 110.893 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -117.96 90.68 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.61 -156.77 30.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -91.81 17.65 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.08 132.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 11' ' ' GLU . 17.2 mt -108.4 140.21 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' HG22 ' A' ' 10' ' ' ILE . 40.3 tt0 -101.4 116.59 33.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.8 mt -113.96 153.9 28.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.44 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 3.7 p -115.02 -175.55 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -53.77 54.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -77.29 -47.25 20.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -56.49 -45.69 80.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.7 t80 -43.99 -24.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.74 -48.21 8.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -73.67 -5.64 41.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -106.25 -38.26 6.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.3 t -96.68 -65.16 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.8 mt -53.93 -39.95 66.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.75 7.33 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -132.83 127.81 35.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -84.11 16.68 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -103.05 158.08 16.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.2 t -70.96 122.89 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.501 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 30.7 m95 -114.11 116.43 29.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.466 ' SD ' ' CG2' ' A' ' 87' ' ' ILE . 0.7 OUTLIER -91.22 111.0 22.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG21 ' CE1' ' A' ' 90' ' ' PHE . 41.3 t -102.34 113.58 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -107.96 96.43 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -66.04 114.4 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 3.3 p90 -122.15 166.45 14.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.22 137.02 27.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -15.83 37.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.406 ' NE1' HG23 ' A' ' 70' ' ' THR . 2.2 p-90 -112.28 13.67 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.3 t -110.26 123.25 49.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -60.27 -52.69 51.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' GLY . 78.7 m-70 -35.97 -46.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.758 0.313 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -63.06 -57.6 10.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -41.08 -37.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 9.2 t30 -78.89 -31.41 45.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 40' ' ' CYS . 26.3 tp -79.1 -18.1 53.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.6 tp10 -39.37 -58.4 1.94 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.686 0.755 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.8 -45.37 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.237 . . . . 0.0 112.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 42' ' ' ASN . 2.0 mp0 -54.88 -27.88 46.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.563 ' CZ3' HG22 ' A' ' 108' ' ' ILE . 59.7 t-105 -91.69 -35.41 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.54 77.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.066 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.51 -47.32 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.39 -47.55 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.61 -55.0 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 m -63.03 -40.29 97.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.435 ' CG ' HG11 ' A' ' 109' ' ' VAL . 3.8 tp10 -67.1 -28.61 68.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.41 ' CG1' ' HB ' ' A' ' 62' ' ' VAL . 78.1 t -80.25 -39.61 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -74.04 -27.93 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -77.5 -31.37 53.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.467 ' CB ' HD21 ' A' ' 113' ' ' LEU . 34.4 mt-30 -90.58 -40.34 12.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.543 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 21.7 p -84.31 20.83 1.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt 50.33 26.45 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.76 28.16 47.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.451 ' HE2' ' N ' ' A' ' 120' ' ' ALA . 48.1 tptt -88.85 -61.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.41 ' HB ' ' CG1' ' A' ' 54' ' ' VAL . 6.7 t -82.53 109.87 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.501 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 26.4 mttt -91.5 155.56 18.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -125.13 118.95 27.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.71 172.05 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.77 161.83 30.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.6 t -147.83 122.64 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.492 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 46.6 p-10 -74.39 97.63 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . . . -53.71 -14.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.406 HG23 ' NE1' ' A' ' 36' ' ' TRP . 75.1 p -75.59 -27.63 58.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.492 ' CG2' ' OD2' ' A' ' 68' ' ' ASP . 42.8 t -110.19 -37.64 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -82.02 107.77 14.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -110.13 -35.04 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.34 -36.27 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.417 HD12 ' CG ' ' A' ' 17' ' ' PHE . 8.3 mt -91.73 -50.31 5.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.25 -40.66 17.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 t -77.13 -38.21 52.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 58.3 ttt180 -53.52 -49.65 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 17.4 m-85 -99.2 -19.83 16.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 79.98 80.39 0.81 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mm -111.16 106.02 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.0 -16.69 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.22 94.08 0.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.528 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -95.31 153.91 39.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.702 0.763 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.5 Cg_endo -69.8 160.95 87.29 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.33 0.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -141.65 106.15 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CG2' ' SD ' ' A' ' 29' ' ' MET . 17.0 mt -96.92 123.4 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -130.58 139.2 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.467 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 3.9 mp -98.6 144.59 11.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.451 ' CE1' HG21 ' A' ' 30' ' ' VAL . 91.4 m-85 -128.47 106.16 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -110.24 109.29 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -46.39 122.07 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.25 -41.93 1.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -140.54 174.22 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -61.81 152.6 75.47 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.708 0.766 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.37 31.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 11.9 m -118.78 166.74 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -101.99 116.03 31.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.477 ' CG ' ' N ' ' A' ' 100' ' ' ASP . 49.2 t80 -50.94 169.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.477 ' N ' ' CG ' ' A' ' 99' ' ' TYR . 3.0 t70 -73.79 -56.42 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 129.89 8.82 3.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.15 -34.97 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 50.27 31.02 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' ARG . 19.4 p -146.1 127.59 15.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 104' ' ' THR . 21.4 ptt180 -37.9 -36.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.9 m -59.37 -54.42 46.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.43 -52.18 12.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.563 HG22 ' CZ3' ' A' ' 47' ' ' TRP . 38.0 mt -48.07 -36.29 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.439 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 37.3 t -79.07 -45.74 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.2 t -49.69 -44.46 48.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -64.95 -51.8 59.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.06 -38.06 16.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 57' ' ' GLN . 16.2 mt -70.55 -44.56 67.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.67 -29.57 27.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.45 ' HB3' ' ND2' ' A' ' 119' ' ' ASN . 8.5 mt -94.6 -39.97 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.543 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 11.6 t80 -51.26 -50.52 59.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' PHE . 4.2 t -37.84 -38.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' ASN . 5.8 t0 -98.31 -61.41 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.45 ' ND2' ' HB3' ' A' ' 115' ' ' LEU . 27.1 m-80 -35.2 -64.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.521 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . . . -53.95 162.67 1.36 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.536 0.684 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 115.77 4.25 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.09 35.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.284 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.72 175.91 7.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' PRO . 7.8 tt0 -34.67 99.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.88 147.35 50.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.953 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.43 72.0 3.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -86.78 148.19 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 t -81.5 177.01 9.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -52.98 -178.47 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.21 39.15 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.0 p -103.26 144.82 30.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.7 t -80.8 101.1 9.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -150.94 161.4 42.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -81.35 169.25 17.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.11 106.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -151.72 160.9 43.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.89 0.376 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -104.75 138.85 40.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.74 -110.33 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.65 30.77 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 p -88.85 133.97 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 11' ' ' GLU . 20.8 mt -88.41 139.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 10' ' ' ILE . 16.7 tt0 -98.47 124.5 43.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.1 mt -117.99 164.29 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 26.3 p -129.82 178.51 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -53.74 -29.99 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -103.75 -30.93 10.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.3 m -92.35 16.91 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 1.2 t80 -97.8 -47.94 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.33 -52.66 7.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -57.32 -15.08 5.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -102.57 -22.33 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.4 t -102.85 -63.29 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.92 -29.42 60.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.7 9.12 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.0 t -131.96 146.47 52.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -97.3 26.5 4.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -118.72 158.06 26.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.03 124.2 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -114.16 111.61 21.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.0 mtp -87.96 100.84 13.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.412 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 39.3 t -90.8 119.3 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -119.6 117.5 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.412 ' CZ ' HG12 ' A' ' 30' ' ' VAL . 13.6 m-85 -92.5 133.91 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -140.73 172.79 12.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -122.58 133.19 24.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.582 0.706 . . . . 0.0 111.072 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.76 -3.42 11.98 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -124.13 1.49 8.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.9 t -94.1 111.53 23.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.82 -59.26 9.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -44.76 -33.76 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.9 m -75.71 -44.85 40.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -51.71 -35.83 44.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -70.26 -24.69 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' CD1' ' O ' ' A' ' 103' ' ' ARG . 12.5 tp -89.14 -27.14 20.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.524 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.2 tt0 -36.86 -58.29 1.1 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.8 Cg_endo -69.77 -29.94 23.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.327 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.96 -33.01 73.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -79.21 -40.84 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.28 78.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.09 89.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.1 -43.15 66.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.69 -47.93 66.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -67.49 -40.1 85.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.46 ' HG2' ' CG1' ' A' ' 109' ' ' VAL . 14.2 tt0 -72.62 -14.34 61.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.3 t -92.42 -41.53 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -72.86 -20.39 61.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -81.68 -28.57 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -96.27 -36.55 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.561 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 49.5 p -85.73 20.39 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt 51.3 27.05 3.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.49 22.95 66.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -85.62 -64.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.53 109.11 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -95.29 137.67 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -106.42 123.57 48.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.97 158.44 35.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.424 ' CB ' ' OE1' ' A' ' 31' ' ' GLU . . . -121.05 154.38 36.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 68' ' ' ASP . 57.4 t -136.97 148.69 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.454 ' N ' HG12 ' A' ' 67' ' ' VAL . 14.3 m-20 -101.19 99.78 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.692 ' CB ' ' CE1' ' A' ' 84' ' ' PHE . . . -58.0 -14.57 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.401 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 77.7 p -71.42 -27.04 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -113.34 -35.3 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -76.48 106.44 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -106.5 -30.45 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.99 -38.23 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.58 -56.81 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.12 -43.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -78.89 -39.84 33.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -46.72 -51.83 15.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -100.92 -21.02 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.86 58.51 2.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.539 HG21 ' CE1' ' A' ' 84' ' ' PHE . 21.4 mm -59.4 -73.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 38.91 26.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' ILE . . . -159.46 88.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -102.15 155.52 36.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 -179.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.4 Cg_endo -69.7 165.86 75.37 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.413 -0.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -142.21 142.37 32.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.5 mt -133.96 122.78 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -131.67 148.45 52.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -114.29 138.06 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 38.1 m-85 -130.05 122.79 29.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.463 ' HB2' ' CG ' ' A' ' 94' ' ' GLU . 27.3 mp0 -114.55 157.54 22.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.04 107.49 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.76 -46.22 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 91' ' ' GLN . 10.4 pt-20 -100.92 171.53 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.1 p -83.59 152.75 64.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.79 148.98 66.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.468 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 3.6 m -108.4 173.65 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 1.6 m-20 -113.52 103.51 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -66.51 112.0 3.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -126.03 92.37 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -174.81 -141.62 3.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.9 127.01 21.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.454 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -91.81 22.11 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 105' ' ' ARG . 81.7 p -100.19 136.6 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 104' ' ' THR . 19.5 ptt180 -36.68 -41.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -50.78 -59.06 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.96 -53.58 20.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 104' ' ' THR . 20.1 mt -42.15 -41.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 53' ' ' GLU . 98.4 t -74.97 -48.16 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.7 t -49.23 -36.59 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -72.51 -53.09 13.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.31 -39.34 6.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.01 -51.62 68.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.02 -44.79 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -78.98 -44.13 23.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.683 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 32.9 t80 -44.69 -40.36 5.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 91.9 p -70.72 -36.14 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.46 -53.99 50.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.39 -65.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.683 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . . . -56.49 152.26 25.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.552 0.691 . . . . 0.0 111.098 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 161.26 46.63 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.82 77.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 126' ' ' LEU . 11.1 mt -136.16 154.45 50.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 125' ' ' LEU . 3.7 mt -34.72 138.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -40.73 119.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.7 m -80.29 147.52 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -97.35 103.43 2.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -173.01 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.2 p -150.45 146.43 26.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.1 m -119.59 101.46 7.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 47.43 48.12 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.908 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -84.29 45.03 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.27 149.91 23.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p -92.68 -51.15 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m -87.92 108.3 19.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.99 -161.06 11.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 24.7 t70 -92.57 19.62 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.71 121.53 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 49.2 mt -94.84 135.41 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.38 138.6 31.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.9 mt -122.18 160.43 25.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.8 171.52 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -58.43 -17.2 18.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -117.47 -40.94 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.449 ' OG ' ' ND2' ' A' ' 20' ' ' ASN . 1.1 t -66.75 -22.59 66.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -52.83 -39.38 62.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.96 -38.61 19.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -67.47 -17.72 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.449 ' ND2' ' OG ' ' A' ' 16' ' ' SER . 5.1 m-80 -106.03 -25.86 11.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.478 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 98.2 t -98.11 -65.44 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.57 -53.68 54.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -53.86 -15.21 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 t -112.1 133.07 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -85.62 27.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.12 158.03 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -72.56 127.48 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.478 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 38.9 m95 -116.51 113.55 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.4 mtp -88.28 99.81 12.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.545 HG12 ' CE1' ' A' ' 32' ' ' PHE . 74.8 t -92.55 121.61 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.556 ' OE1' ' CD2' ' A' ' 47' ' ' TRP . 41.8 tt0 -121.86 100.16 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.545 ' CE1' HG12 ' A' ' 30' ' ' VAL . 28.0 m-85 -73.03 129.72 38.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.41 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 15.0 p90 -135.94 176.36 8.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.4 132.3 24.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.707 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -7.72 21.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -121.68 21.54 10.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.4 t -119.48 127.51 53.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -60.92 -55.6 28.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' GLY . 6.5 t-80 -35.23 -39.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -75.86 -54.28 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -43.3 -43.54 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.491 ' C ' ' ND2' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -73.14 -25.67 60.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' CYS . 4.6 tp -88.01 -19.08 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tp10 -39.41 -57.93 2.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.0 Cg_endo -69.79 -40.51 5.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.485 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -58.08 -31.21 66.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.556 ' CD2' ' OE1' ' A' ' 31' ' ' GLU . 71.8 t-105 -82.67 -37.02 25.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.4 -56.52 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.97 64.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 105' ' ' ARG . . . -52.14 -43.3 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.27 -46.95 72.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -71.16 -40.49 71.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -68.46 -26.7 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -83.45 -38.56 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -74.74 -21.57 59.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -86.23 -25.53 25.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.439 ' NE2' ' CG1' ' A' ' 109' ' ' VAL . 32.2 mt-30 -94.65 -43.21 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.545 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 31.0 p -83.61 22.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 50.66 29.75 4.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.63 23.42 72.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.453 ' HG2' ' CB ' ' A' ' 120' ' ' ALA . 11.4 tppt? -81.82 -61.11 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.38 105.69 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -88.05 155.54 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mp -122.55 121.91 37.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 10' ' ' ILE . . . -128.88 166.91 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.31 166.44 18.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.0 t -150.92 138.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.64 101.99 14.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -59.78 -10.12 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.9 p -85.12 -13.82 49.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.35 -29.78 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.32 105.64 17.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -106.95 -32.5 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.36 -39.22 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.537 HD11 ' CD2' ' A' ' 17' ' ' PHE . 41.4 mt -86.07 -58.14 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -43.66 -38.47 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.1 t -74.28 -29.96 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' LEU . 50.5 ttt-85 -64.88 -46.88 79.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -96.48 -22.6 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 85.55 50.16 4.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.7 mm -80.92 112.08 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -128.98 -29.32 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.39 107.22 2.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.527 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -100.94 154.74 36.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.3 Cg_endo -69.82 165.94 75.51 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.347 0.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.4 m -142.01 105.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.194 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.1 mt -97.86 123.5 50.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -130.08 138.65 50.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 99' ' ' TYR . 4.2 mp -106.06 140.8 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 87.1 m-85 -128.48 112.24 14.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 92' ' ' LYS . 63.6 mt-30 -112.98 73.01 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 91' ' ' GLN . 4.3 ttmt -34.3 112.67 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.57 -33.92 1.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -128.26 -76.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 t -175.63 142.82 0.67 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.705 0.764 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.554 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.79 162.03 43.66 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.624 2.216 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.83 178.31 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -125.5 119.6 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.438 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 54.6 t80 -73.49 118.77 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 100' ' ' ASP . 1.5 t70 -118.38 81.08 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -162.24 -146.75 4.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.45 145.25 27.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.04 24.0 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.39 . . . . 0.0 110.912 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 106' ' ' SER . 35.3 p -94.59 130.15 41.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.203 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 104' ' ' THR . 22.4 ptt85 -34.04 -35.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 104' ' ' THR . 62.9 m -57.22 -58.79 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.28 -53.95 17.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 35.7 mt -45.38 -46.29 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.439 ' CG1' ' NE2' ' A' ' 57' ' ' GLN . 56.0 t -71.66 -47.48 57.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.0 t -50.03 -37.88 35.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -73.52 -56.12 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.91 -37.72 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.0 mt -58.85 -41.08 86.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -56.43 -40.61 75.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.32 -43.44 60.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.663 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 51.5 t80 -51.93 -39.2 58.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 m -89.56 24.93 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -130.8 -32.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.36 -39.57 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.663 ' CB ' ' CD1' ' A' ' 116' ' ' PHE . . . -65.26 160.97 53.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 111.147 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 146.3 59.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.256 . . . . 0.0 112.359 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 125.21 11.89 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 122.45 9.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -49.88 167.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.92 133.43 49.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 tp -155.88 131.01 9.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -116.73 -51.42 2.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.3 t -157.13 127.64 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.431 ' N ' ' HD2' ' A' ' 130' ' ' PRO . . . -74.61 -61.48 3.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 131' ' ' SER . 53.6 Cg_endo -69.8 2.65 3.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 130' ' ' PRO . 86.3 p -35.11 -41.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.9 p -123.43 -69.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -68.98 114.64 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.379 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.9 p -101.0 80.25 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.74 128.61 2.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -70.57 -58.49 3.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -61.22 -49.77 75.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.7 -140.81 5.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -92.37 16.8 10.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.32 134.75 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 HD13 ' CH2' ' A' ' 28' ' ' TRP . 56.3 mt -102.97 141.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 10' ' ' ILE . 29.6 tt0 -98.93 121.49 40.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -118.3 170.79 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 32.9 p -128.87 -177.05 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -25.02 67.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 7.0 t70 -105.18 -49.1 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 19.8 m -62.7 -23.82 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.606 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -56.6 -29.97 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -93.17 -42.99 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -12.63 38.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 16' ' ' SER . 62.3 m-80 -103.07 -42.48 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 28' ' ' TRP . 73.9 t -85.69 -64.66 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -53.99 -44.2 70.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -74.95 4.8 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.3 t -128.87 114.88 17.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.82 -14.71 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -76.18 153.8 35.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.6 135.61 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.517 ' CG ' HG21 ' A' ' 21' ' ' VAL . 37.6 m95 -122.82 114.66 20.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.3 mtp -90.16 106.41 18.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.461 HG11 ' CE1' ' A' ' 32' ' ' PHE . 92.7 t -90.71 131.85 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.21 104.09 7.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.461 ' CE1' HG11 ' A' ' 30' ' ' VAL . 26.8 m-85 -78.99 126.9 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -139.3 167.7 21.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 36' ' ' TRP . . . -122.47 135.75 25.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -3.06 11.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.517 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.1 p-90 -120.09 -3.62 10.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 t -89.82 111.36 22.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.19 -54.49 31.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -45.69 -39.85 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.5 m -72.8 -40.81 65.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -52.29 -36.82 53.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -73.53 -24.95 60.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' GLU . 7.1 tp -83.89 -25.43 30.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.7 tt0 -36.54 -58.52 1.0 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.842 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.4 Cg_endo -69.75 -34.1 15.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.308 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -64.81 -30.9 71.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.559 ' CZ3' HG23 ' A' ' 108' ' ' ILE . 65.3 t-105 -84.25 -33.15 24.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.08 -57.43 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.83 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.84 -47.95 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.51 -42.54 74.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -72.43 -38.3 68.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.466 ' HG2' ' CG1' ' A' ' 109' ' ' VAL . 10.4 tt0 -75.1 -12.26 60.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.8 t -93.56 -43.85 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -71.17 -26.31 62.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' CD ' ' HA ' ' A' ' 53' ' ' GLU . 19.5 pt-20 -77.4 -25.49 50.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -96.52 -37.05 10.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.457 ' HA ' ' CE1' ' A' ' 116' ' ' PHE . 55.4 p -86.49 1.49 51.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 62.39 37.72 13.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.8 -13.44 36.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.59 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -50.86 -68.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.8 t -84.35 121.86 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' C ' HD13 ' A' ' 64' ' ' LEU . 23.2 mtpp -109.19 159.82 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.419 HD13 ' C ' ' A' ' 63' ' ' LYS . 9.6 mp -126.48 127.31 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.15 165.83 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.9 151.52 50.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.7 153.55 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -106.37 97.23 7.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.03 -16.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.8 p -72.74 -32.37 65.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -105.91 -29.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.93 110.56 20.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -110.51 -31.25 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -59.67 -39.46 79.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.513 HD12 ' CD2' ' A' ' 17' ' ' PHE . 34.1 mt -85.07 -56.07 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.43 -26.7 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 t -89.75 -33.97 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.438 ' HD3' ' CE1' ' A' ' 79' ' ' TYR . 18.6 ttt85 -63.64 -42.5 98.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.438 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 22.3 m-85 -105.32 -19.62 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.27 45.29 6.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mm -75.48 100.62 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -126.89 -27.35 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.91 95.11 1.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.52 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -97.39 153.95 38.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.646 0.736 . . . . 0.0 110.891 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.9 Cg_endo -69.77 154.14 93.22 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.345 0.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -133.5 119.47 19.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.9 mt -113.0 126.85 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -134.47 141.78 46.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.475 ' CD1' ' N ' ' A' ' 89' ' ' ILE . 1.9 mp -105.38 139.27 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 28.6 m-85 -129.16 129.62 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.459 ' NE2' HG21 ' A' ' 89' ' ' ILE . 9.8 mp0 -131.44 133.21 44.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -61.23 143.82 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.88 -41.72 2.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -116.57 162.77 17.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.1 p -74.88 153.15 86.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.498 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.5 Cg_endo -69.76 162.83 40.58 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.37 -176.4 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -113.55 117.82 32.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -48.25 153.81 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -52.49 -67.45 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 159.95 -16.31 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.87 97.43 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -83.37 36.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 105' ' ' ARG . 36.9 p -124.75 131.65 53.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 104' ' ' THR . 21.3 ptt180 -36.73 -36.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.4 p -62.63 -51.62 66.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.79 -52.82 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.559 HG23 ' CZ3' ' A' ' 47' ' ' TRP . 43.5 mt -46.19 -48.5 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.466 ' CG1' ' HG2' ' A' ' 53' ' ' GLU . 75.8 t -70.76 -45.65 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 t -51.26 -31.0 19.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 114' ' ' ASP . 21.6 tpt85 -78.85 -55.18 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.44 -34.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.37 -38.81 78.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' ARG . 30.3 t0 -51.88 -28.2 15.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.9 -41.48 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.553 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 20.2 t80 -56.21 -32.44 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.3 m -68.6 -11.93 60.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -99.2 -44.1 6.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.23 -73.22 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.553 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . . . -78.58 161.83 68.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 111.068 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 120.16 7.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 147.31 62.27 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 87.98 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -60.78 127.38 31.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -156.7 135.12 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 tt -114.2 101.04 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -155.6 134.6 12.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 t -155.34 142.68 19.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 70.94 149.75 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.26 64.81 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.8 m -132.42 164.4 26.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.7 t -162.74 133.12 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 t -58.24 136.73 57.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -74.13 98.88 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.73 -44.55 17.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 50.74 43.5 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -123.6 2.14 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.92 -143.98 16.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.16 -22.4 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.42 127.4 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 11' ' ' GLU . 56.5 mt -104.26 138.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' HG21 ' A' ' 10' ' ' ILE . 23.9 tt0 -99.07 133.6 43.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -123.12 176.97 5.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.9 p -131.17 -175.62 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.88 -17.65 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -108.74 -49.97 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -61.78 -38.3 87.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CD2' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -38.51 -39.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.441 ' OD1' ' CE ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -91.43 -35.52 14.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' CE ' ' OD1' ' A' ' 18' ' ' ASP . 9.3 mmpt? -67.65 -14.43 62.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -105.95 -34.88 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.1 t -87.48 -55.1 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.37 -38.24 87.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -76.21 3.2 11.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t -130.18 115.33 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -61.62 -18.17 58.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.463 ' HA ' ' CE ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -72.35 157.51 37.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.96 138.99 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -126.65 114.09 17.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.5 mtp -91.14 102.35 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -92.22 131.38 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 31' ' ' GLU . 6.5 tm-20 -125.59 91.31 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -59.74 124.01 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 6.9 p90 -134.8 173.83 11.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -122.98 135.38 25.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -6.1 17.75 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.389 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -125.26 1.93 7.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.6 t -91.66 122.08 33.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -56.03 -58.64 13.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.2 m170 -35.53 -46.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.329 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -62.76 -54.22 42.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -43.79 -37.39 2.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -75.99 -30.11 58.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' CYS . 21.9 tp -81.31 -23.1 38.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.1 tp10 -35.65 -59.62 0.71 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.665 0.745 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.76 -45.18 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.0 -28.66 53.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -89.74 -38.5 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.18 81.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.83 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' VAL . . . -42.72 -55.13 3.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.89 -50.91 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -37.43 84.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' HG2' ' CG1' ' A' ' 109' ' ' VAL . 6.3 tt0 -76.96 -14.03 59.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.475 HG13 ' CB ' ' A' ' 112' ' ' ALA . 69.3 t -93.99 -43.91 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -70.65 -17.46 62.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -86.13 -31.75 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -90.94 -38.87 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.564 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 66.3 p -81.93 15.89 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 56.8 25.49 10.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.67 18.71 67.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 26' ' ' ASP . 16.8 tptm -83.33 -66.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.8 t -73.28 118.1 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.1 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -103.02 157.08 17.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 mp -125.76 120.27 30.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.48 175.16 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.44 163.48 30.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.9 t -155.74 148.13 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.488 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -85.38 98.67 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.556 ' HB1' ' CE1' ' A' ' 84' ' ' PHE . . . -60.43 -19.11 55.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.13 -18.55 32.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 68' ' ' ASP . 64.6 t -106.37 -25.64 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.488 ' ND2' ' OD1' ' A' ' 68' ' ' ASP . 6.3 m-80 -94.78 111.75 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -103.29 -24.93 13.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.9 t -66.69 -35.97 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.545 HD13 ' CD2' ' A' ' 17' ' ' PHE . 11.0 mt -92.19 -50.96 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.404 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -52.58 -29.56 26.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 t -84.39 -24.83 29.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -75.72 -35.85 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -111.0 -16.97 13.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.404 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 77.8 77.05 0.85 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.452 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.2 mm -106.69 115.97 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 111.084 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -127.68 -26.15 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.22 119.43 5.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CE1' ' HB1' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -114.33 155.98 45.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.1 Cg_endo -69.74 166.71 73.3 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.394 -0.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.4 ' CG2' ' HZ1' ' A' ' 88' ' ' LYS . 1.2 m -141.8 106.04 4.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.1 mt -94.15 123.76 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' HZ1' ' CG2' ' A' ' 86' ' ' THR . 17.3 mmtm -135.76 133.69 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 mp -89.61 149.05 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -138.07 131.71 31.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -125.03 143.58 50.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -67.54 105.48 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.7 -47.5 1.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.89 167.39 21.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 p -83.84 142.24 41.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.683 0.754 . . . . 0.0 110.832 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 150.84 69.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.52 178.88 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.94 132.21 56.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -81.66 -74.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.1 t70 51.94 51.17 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.2 -132.11 3.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.33 0.13 63.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.409 ' NH1' ' HG2' ' A' ' 85' ' ' PRO . 53.9 mtt-85 62.46 28.21 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.3 132.32 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -40.26 -40.61 1.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 m -53.83 -47.0 71.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -82.0 -51.15 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.2 mt -46.73 -41.22 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.479 ' CG1' ' HG2' ' A' ' 53' ' ' GLU . 87.3 t -70.95 -48.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.3 t -44.23 -48.17 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -63.25 -56.85 13.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.475 ' CB ' HG13 ' A' ' 54' ' ' VAL . . . -42.08 -37.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.0 -40.75 75.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.49 -37.12 62.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.9 mt -88.02 -37.12 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 20.1 t80 -47.65 -60.79 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 t -46.73 -42.03 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.08 -44.85 95.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.23 109.36 10.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.57 ' HB3' ' CE1' ' A' ' 116' ' ' PHE . . . -174.49 168.49 1.96 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.563 0.697 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.456 ' HD2' ' CB ' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.76 169.45 18.89 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.343 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 124.37 10.99 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.295 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -169.08 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.396 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -94.9 144.19 25.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.2 mp -44.16 122.38 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -156.49 122.7 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.435 ' OE1' ' C ' ' A' ' 127' ' ' GLU . 0.0 OUTLIER -127.11 119.4 26.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.9 t -131.87 133.78 45.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 148.51 95.29 0.15 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 169.29 19.28 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.9 m -95.48 157.83 15.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.4 t -99.55 -178.93 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -98.48 114.99 27.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -87.01 -55.25 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.79 97.41 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.0 p -148.99 147.75 28.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 8' ' ' ASP . 1.5 t -70.33 -175.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.859 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' VAL . . . -46.23 90.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' SER . 10.4 t70 38.32 28.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' GLY . 61.0 t -87.04 105.32 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.414 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 45.1 mt -80.78 136.05 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -101.74 128.05 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.7 mt -111.93 172.04 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' PHE . 4.3 m -133.17 164.42 27.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -46.74 -37.46 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -100.32 -15.71 17.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 61.2 m -105.23 16.6 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -98.87 -29.83 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.893 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -88.74 -52.79 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -64.2 -10.93 26.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 16' ' ' SER . 5.0 m-80 -101.28 -28.11 12.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.1 t -101.56 -61.5 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.424 ' O ' ' CE ' ' A' ' 92' ' ' LYS . 16.8 mt -55.27 -55.32 32.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.3 -12.8 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -103.89 101.13 10.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -49.8 -23.44 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.19 157.83 36.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.67 145.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.414 ' CZ3' HD11 ' A' ' 10' ' ' ILE . 43.5 m95 -131.29 111.69 12.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mtp -87.49 101.0 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -85.22 130.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.567 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 5.2 tp10 -127.16 96.78 4.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -70.02 128.64 37.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.591 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 2.3 p90 -139.82 165.38 27.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -122.99 137.52 28.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.547 0.689 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -18.71 37.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.395 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -105.08 9.81 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.7 t -109.7 128.26 55.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.27 -53.23 43.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -40.24 -33.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.591 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -73.57 -58.52 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -46.17 -41.7 12.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -73.21 -29.48 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.4 ' C ' ' HD2' ' A' ' 45' ' ' PRO . 12.3 tp -80.69 -22.42 40.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.599 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -37.91 -54.11 2.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.915 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.0 Cg_endo -69.79 -46.58 1.16 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -55.92 -28.1 55.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 58.8 t-105 -92.5 -37.96 12.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' CB ' ' HA3' ' A' ' 7' ' ' GLY . . . -56.96 -53.29 59.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.43 -49.3 76.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.25 -45.41 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.58 70.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -81.02 -31.43 34.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -76.98 -20.8 55.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.445 HG22 ' CB ' ' A' ' 112' ' ' ALA . 55.1 t -84.98 -39.76 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -75.75 -20.47 58.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.8 -30.4 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.406 ' CB ' HD22 ' A' ' 113' ' ' LEU . 36.9 mt-30 -94.65 -40.09 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.558 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 34.6 p -82.56 18.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm 53.37 27.49 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.71 17.87 71.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CE ' ' HB3' ' A' ' 120' ' ' ALA . 12.9 tppt? -77.17 -65.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.9 t -76.41 110.55 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -97.57 141.83 30.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.19 128.2 54.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.2 160.49 32.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.57 154.46 46.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.427 HG11 ' ND2' ' A' ' 72' ' ' ASN . 60.9 t -142.86 141.65 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -89.83 105.78 18.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.08 -13.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.9 p -83.05 -23.29 33.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.81 -35.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.427 ' ND2' HG11 ' A' ' 67' ' ' VAL . 3.8 m-80 -87.89 110.81 20.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -106.87 -39.73 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.4 t -55.08 -39.41 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.27 -52.09 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -49.5 -39.23 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 t -78.27 -37.92 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -52.32 -51.81 56.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -100.96 -16.5 17.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 80.18 86.87 0.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 84' ' ' PHE . 50.4 mm -105.02 115.59 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.402 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -134.38 -34.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.41 101.66 2.08 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -104.08 155.83 36.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.737 . . . . 0.0 110.894 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.71 162.99 82.86 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.362 -0.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.405 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 3.6 m -140.05 108.84 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.401 ' CG1' ' OE2' ' A' ' 31' ' ' GLU . 18.5 mt -95.81 124.27 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -134.18 126.31 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.405 ' CD1' ' HB2' ' A' ' 99' ' ' TYR . 2.7 mp -88.63 147.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.522 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 94.4 m-85 -138.03 127.94 25.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -124.62 131.09 53.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' CE ' ' O ' ' A' ' 22' ' ' LEU . 21.0 tttm -50.08 124.63 10.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.54 -41.83 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -76.04 163.53 27.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.5 t -85.02 139.49 36.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.522 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.0 Cg_endo -69.75 153.6 68.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.6 m -129.83 171.35 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -112.63 116.87 30.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.405 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 89.1 t80 -84.26 128.81 34.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -127.31 65.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -87.8 -149.56 17.5 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.25 17.27 58.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.531 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 56.19 25.44 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.13 139.42 53.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -46.49 -36.34 6.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -54.75 -53.16 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -75.7 -52.16 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.2 mt -46.51 -42.21 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 44.9 t -72.21 -47.7 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.3 t -45.3 -44.2 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 114' ' ' ASP . 0.0 OUTLIER -71.57 -53.05 15.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.445 ' CB ' HG22 ' A' ' 54' ' ' VAL . . . -40.05 -30.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.406 HD22 ' CB ' ' A' ' 57' ' ' GLN . 85.8 mt -77.8 -38.74 45.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' ARG . 2.9 m-20 -57.27 -30.8 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -93.93 -35.99 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.612 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 7.0 t80 -48.3 -57.61 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' ASP . 24.9 t -52.21 -56.05 17.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' SER . 15.2 m-20 -35.76 -55.84 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.35 -74.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.612 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . . . -51.68 140.22 28.32 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.559 0.695 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 53.5 Cg_endo -69.82 112.29 3.05 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 121' ' ' PRO . 53.3 Cg_endo -69.82 166.27 28.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.325 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.51 34.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.23 93.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 127' ' ' GLU . 1.8 pp -160.04 159.29 31.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.466 ' N ' HD11 ' A' ' 125' ' ' LEU . 5.6 mp -53.57 84.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.1 mp0 -42.23 155.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.1 p -168.83 160.23 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.57 80.37 0.2 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -13.13 34.33 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.7 m -79.49 127.0 31.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 45.9 t -167.11 125.26 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -112.81 139.66 48.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 m -114.67 -61.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.22 162.61 31.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -63.42 -61.77 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m -121.62 42.31 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.65 -143.21 32.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.04 -39.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.365 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.2 t -57.71 125.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.3 mt -96.06 149.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -102.82 134.56 46.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.0 mt -118.69 163.79 16.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.88 171.16 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -31.8 50.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.813 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.02 -45.03 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -59.1 -32.92 70.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.513 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 t80 -44.07 -47.43 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 22' ' ' LEU . 1.2 p30 -76.64 -48.23 19.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -62.34 -12.25 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -106.03 -25.49 12.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.414 HG22 ' CG ' ' A' ' 28' ' ' TRP . 38.3 t -104.57 -62.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 18' ' ' ASP . 53.5 mt -56.11 -43.82 78.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -79.15 9.07 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -122.18 115.03 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -64.91 -14.79 60.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.4 158.0 23.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.4 t -73.39 142.4 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.52 ' CH2' ' HE2' ' A' ' 63' ' ' LYS . 47.8 m95 -129.97 116.44 18.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.6 mtp -93.27 99.36 11.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 32' ' ' PHE . 60.4 t -85.33 127.89 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.521 ' OE2' ' CE3' ' A' ' 47' ' ' TRP . 9.0 tt0 -127.06 107.84 10.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CE1' HG12 ' A' ' 30' ' ' VAL . 30.3 m-85 -83.79 126.4 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.493 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 3.7 p90 -135.96 169.07 18.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.12 133.41 24.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 0.0 111.094 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -9.85 27.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -117.42 13.76 14.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.7 t -112.14 129.56 56.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -56.8 -62.69 6.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.4 m170 -36.39 -41.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.493 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -62.64 -54.47 38.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -51.93 -31.24 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -80.64 -28.75 36.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 tp -83.59 -12.11 56.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 tt0 -52.8 -58.8 10.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.636 0.732 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.4 Cg_endo -69.76 -25.03 29.04 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -77.15 -31.3 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.521 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 56.7 t-105 -87.13 -42.5 12.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.46 -53.94 32.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.28 -52.71 52.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' O ' ' CG2' ' A' ' 54' ' ' VAL . . . -42.17 -35.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.72 92.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -69.37 -43.36 73.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' CG ' HG12 ' A' ' 109' ' ' VAL . 6.2 tp10 -65.91 -27.71 68.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 50' ' ' ALA . 84.6 t -87.4 -37.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 60' ' ' GLY . 8.3 tttm -68.71 -37.97 79.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -76.49 -35.34 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -77.4 -40.65 42.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.423 HG23 ' CG1' ' A' ' 54' ' ' VAL . 19.6 p -88.2 6.04 38.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.15 26.32 16.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 92.07 -11.43 72.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.476 ' HZ2' ' N ' ' A' ' 120' ' ' ALA . 17.0 tptm -52.21 -67.57 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.341 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.38 107.09 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.52 ' HE2' ' CH2' ' A' ' 28' ' ' TRP . 25.7 mtpt -95.58 150.81 19.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.1 mp -116.41 132.26 56.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.89 163.56 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.2 153.99 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.0 t -136.92 136.77 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.02 101.59 14.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.94 -11.78 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.0 p -80.51 -16.44 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.0 t -119.94 -37.3 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -82.67 107.19 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -107.87 -33.81 7.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -53.24 -39.47 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 78' ' ' ARG . 17.4 mt -88.85 -55.35 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.73 -28.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -89.4 -35.09 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 75' ' ' LEU . 42.9 ttt85 -61.85 -45.05 95.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -99.1 -19.52 17.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.56 37.23 9.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.52 103.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -128.28 -29.88 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.43 99.33 1.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -96.74 153.92 38.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.876 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.79 166.57 73.78 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.344 -0.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.4 m -141.68 111.96 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.7 mt -102.76 124.19 56.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -135.19 136.01 41.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 90' ' ' PHE . 4.9 mp -105.31 135.76 42.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 38.4 m-85 -124.4 129.76 51.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -120.34 141.9 49.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.431 ' NZ ' ' O ' ' A' ' 22' ' ' LEU . 2.0 tppt? -71.82 118.76 15.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.56 -39.7 2.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -108.85 167.06 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.9 p -77.6 155.83 80.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.685 0.755 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.74 163.44 38.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.388 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.405 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 1.8 m -123.05 -179.17 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -122.64 106.39 10.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -70.98 117.57 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -134.23 116.71 15.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.62 -129.2 1.5 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -83.8 168.18 45.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -119.44 50.55 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ARG . 72.6 p -137.2 137.26 38.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' THR . 17.2 ptt85 -37.51 -36.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m -53.21 -59.02 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.35 -53.96 30.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.516 HG22 ' CZ3' ' A' ' 47' ' ' TRP . 20.1 mt -46.99 -39.81 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.42 HG12 ' CG ' ' A' ' 53' ' ' GLU . 47.9 t -74.1 -47.23 42.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.5 t -45.3 -45.7 12.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 114' ' ' ASP . 13.2 tpp180 -65.25 -54.22 32.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.98 -37.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.7 mt -75.04 -37.89 61.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 111' ' ' ARG . 2.0 m-20 -57.68 -27.4 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.8 mt -95.64 -43.71 7.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 120' ' ' ALA . 10.4 t80 -48.49 -40.52 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.1 p -67.04 -38.5 85.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -43.01 89.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -91.65 -74.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.567 ' HB2' ' CD1' ' A' ' 116' ' ' PHE . . . -67.3 151.56 97.02 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 110.29 2.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 164.5 34.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 166.48 27.53 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.296 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -100.15 118.19 35.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.59 17.49 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.8 tp -141.14 115.07 9.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -50.49 -47.11 57.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 35.4 t -89.52 137.87 31.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -127.25 -157.02 9.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.51 35.63 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.389 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 64.9 m -52.07 -51.25 58.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.4 t -112.1 153.33 27.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -72.79 109.72 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 m -83.24 163.0 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.01 -150.35 9.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 p -116.62 39.27 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -173.67 111.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.34 -130.08 2.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.416 ' CG ' ' HD3' ' A' ' 55' ' ' LYS . 29.5 t70 -83.21 -16.88 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 41.3 t -57.07 122.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 mt -95.08 150.75 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -109.48 127.93 54.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.7 mt -119.75 172.09 7.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 p -133.1 -177.0 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.71 -30.46 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -101.96 -45.84 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -61.55 -30.97 71.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -47.07 -39.82 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.57 -44.84 10.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -62.29 -18.33 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -104.04 -22.53 13.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 17' ' ' PHE . 94.2 t -101.76 -64.78 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.43 -33.2 69.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -71.77 -1.11 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t -133.87 131.54 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -77.56 4.13 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.97 157.89 18.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.25 127.32 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -115.83 111.0 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.1 mtp -86.36 108.9 18.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.541 HG12 ' CE1' ' A' ' 32' ' ' PHE . 57.3 t -93.73 125.94 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 86' ' ' THR . 4.0 tp10 -124.35 99.49 6.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.541 ' CE1' HG12 ' A' ' 30' ' ' VAL . 38.7 m-85 -74.88 130.16 38.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.573 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 4.9 p90 -135.61 169.39 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.12 132.74 24.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.536 0.684 . . . . 0.0 111.137 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -13.44 34.65 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -115.29 17.17 16.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.7 t -118.23 120.44 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -50.24 -55.17 16.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' GLY . 35.8 m170 -37.41 -46.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.573 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -58.43 -51.51 69.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -48.53 45.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -68.23 -14.0 62.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 tp -94.69 -20.93 19.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.495 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.4 tt0 -46.98 -59.16 5.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.652 0.739 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.5 Cg_endo -69.79 -29.11 24.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -70.22 -33.4 71.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.5 t-105 -86.33 -42.71 13.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -52.54 -43.83 65.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.55 -50.93 18.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.58 -46.97 14.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.41 -48.12 65.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 m -67.73 -42.79 81.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.01 -25.14 64.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 109' ' ' VAL . 54.8 t -84.69 -43.88 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.153 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HD3' ' CG ' ' A' ' 8' ' ' ASP . 5.9 pttp -69.64 -24.12 63.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.6 -30.56 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.407 ' NE2' HD23 ' A' ' 113' ' ' LEU . 33.9 mt-30 -89.72 -39.4 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.544 ' HA ' ' CE1' ' A' ' 116' ' ' PHE . 65.8 p -82.44 19.0 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm 51.28 25.58 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.01 21.12 58.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -86.81 -68.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.92 103.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -92.62 151.55 20.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mp -117.57 128.23 54.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.93 170.41 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.44 156.74 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 68' ' ' ASP . 60.8 t -143.12 139.46 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.456 ' N ' HG12 ' A' ' 67' ' ' VAL . 0.8 OUTLIER -89.8 99.54 12.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -55.08 -15.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.1 p -78.22 -25.03 46.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -107.99 -37.14 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.2 108.2 14.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -106.06 -37.05 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.61 -42.09 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 17' ' ' PHE . 50.9 mt -80.87 -57.93 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -41.52 -41.7 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -75.45 -44.27 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -46.66 -54.0 10.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -96.67 -21.26 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 80.23 77.19 0.97 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mm -102.21 105.11 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.102 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -126.79 24.42 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.05 90.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.544 ' CZ ' ' HB1' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -93.38 154.99 41.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.673 0.749 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.79 162.92 83.21 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.337 0.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.413 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 37.2 m -139.04 105.11 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.4 mt -95.11 118.97 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -128.14 146.79 50.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.469 HG21 ' N ' ' A' ' 90' ' ' PHE . 5.4 mp -113.84 137.28 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 81.5 m-85 -123.5 120.8 33.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -118.06 122.63 43.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -46.47 136.91 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.79 -44.63 3.39 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -96.31 161.0 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.366 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 m -79.78 159.67 70.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.566 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.75 156.56 63.07 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 1.1 m -121.67 176.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.86 106.43 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.532 ' CE2' ' HA3' ' A' ' 101' ' ' GLY . 68.0 t80 -75.66 137.29 40.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -133.41 66.59 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.532 ' HA3' ' CE2' ' A' ' 99' ' ' TYR . . . -93.66 -152.49 29.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -108.65 26.51 15.86 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.45 ' CD ' ' HG3' ' A' ' 85' ' ' PRO . 16.7 ttp-105 49.02 38.63 12.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -134.58 133.21 39.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -43.1 -36.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 m -56.94 -44.95 83.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -81.38 -50.98 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.2 mt -48.36 -44.9 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.466 ' CG2' HG21 ' A' ' 54' ' ' VAL . 73.5 t -73.64 -45.94 49.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.8 t -51.86 -20.53 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -93.81 -54.69 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.2 -29.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.407 HD23 ' NE2' ' A' ' 57' ' ' GLN . 92.0 mt -64.88 -43.93 91.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.74 -42.71 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' PHE . 6.7 mt -75.96 -41.22 52.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.669 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 16.1 t80 -37.89 -57.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.2 t -55.35 -55.4 32.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -39.69 -45.06 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -91.15 -75.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.669 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . . . -53.79 154.36 7.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 111.061 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 130.06 18.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.68 26.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.374 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.85 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -38.49 154.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 tt -85.53 17.08 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.99 42.93 1.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -159.39 150.07 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.1 m -50.26 112.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 151.04 70.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.97 3.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.349 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 75.7 m 62.9 47.06 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.3 t -154.54 177.92 10.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 29.8 t70 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t -77.73 121.16 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -98.98 128.92 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -91.56 121.56 33.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.3 mt -117.75 151.99 36.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.0 p -100.87 -175.53 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -79.63 -7.25 58.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -110.87 -53.8 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' LYS . 4.1 p -65.02 -33.03 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.694 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -40.88 -39.88 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -82.4 -28.89 31.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' SER . 10.9 mmtp -81.78 -8.56 59.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -105.46 -41.07 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.458 HG22 ' CG ' ' A' ' 28' ' ' TRP . 75.8 t -84.85 -65.33 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.85 -30.22 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -81.92 8.36 10.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.3 t -137.03 139.71 41.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -92.51 34.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -123.26 157.81 32.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -71.18 125.11 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.562 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 49.5 m95 -117.43 111.55 19.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.8 mtt -85.3 99.76 11.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.694 HG21 ' CE2' ' A' ' 17' ' ' PHE . 97.4 t -89.73 119.07 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -118.4 121.8 41.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CE1' HG12 ' A' ' 30' ' ' VAL . 26.8 m-85 -96.6 126.19 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -129.62 165.62 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.66 132.42 24.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.561 0.696 . . . . 0.0 111.138 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.12 9.63 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.744 2.296 . . . . 0.0 112.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -125.7 23.23 7.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.5 t -124.39 136.36 54.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' CYS . . . -75.71 -55.61 4.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -40.33 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 38' ' ' GLY . 62.3 m -88.99 -47.7 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -32.37 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -75.97 -23.42 55.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 46' ' ' GLU . 10.4 tp -90.29 -24.61 20.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.4 tp10 -35.13 -59.74 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.7 -38.33 8.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HB2' HD12 ' A' ' 43' ' ' LEU . 19.9 mm-40 -57.39 -37.27 72.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.434 ' CE2' HD23 ' A' ' 64' ' ' LEU . 57.9 t-105 -75.83 -43.53 45.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.2 -55.77 21.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.93 67.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.579 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -48.62 -48.34 39.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.31 -46.07 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -69.36 -49.62 53.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.531 ' CG ' HG11 ' A' ' 109' ' ' VAL . 4.7 tp10 -60.85 -25.11 66.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.805 HG23 HG22 ' A' ' 109' ' ' VAL . 77.7 t -87.67 -43.71 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -64.31 -36.56 84.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -75.37 -34.33 61.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.656 ' HB3' HD21 ' A' ' 113' ' ' LEU . 73.1 mt-30 -79.6 -32.16 41.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.727 HG21 ' HB ' ' A' ' 62' ' ' VAL . 42.6 p -95.92 -0.1 51.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 27.83 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.41 -18.36 57.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -50.35 -57.35 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.727 ' HB ' HG21 ' A' ' 58' ' ' THR . 36.7 t -95.68 102.64 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 3.3 mtpm? -95.35 156.72 16.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.434 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.4 mp -123.28 129.31 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.19 166.75 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.35 148.02 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.17 152.74 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -101.81 98.67 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.425 ' CB ' ' CE1' ' A' ' 84' ' ' PHE . . . -53.34 -16.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.2 p -76.08 -28.28 57.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.6 t -107.27 -28.21 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -92.19 111.32 22.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -108.19 -39.08 5.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.8 t -53.15 -49.39 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 17' ' ' PHE . 21.3 mt -75.6 -56.57 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -43.03 -41.96 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t -75.05 -40.74 60.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -45.09 -51.0 10.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -105.01 -22.25 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 88.38 79.89 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.846 HD12 HG21 ' A' ' 86' ' ' THR . 7.1 mm -104.92 103.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.112 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -124.21 -19.96 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.84 95.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.608 ' CE1' HG22 ' A' ' 81' ' ' ILE . 1.2 m-85 -96.07 154.02 38.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 0.0 110.875 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.8 155.68 93.25 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.343 0.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.846 HG21 HD12 ' A' ' 81' ' ' ILE . 6.4 m -134.09 102.17 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 48.8 mt -90.43 124.55 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -132.05 137.78 47.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.503 HD11 ' HB2' ' A' ' 99' ' ' TYR . 4.6 mp -106.69 144.71 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.14 126.36 35.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -122.3 112.38 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -50.09 113.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.77 -47.61 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -115.58 159.9 20.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.0 p -61.2 146.97 87.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.24 57.64 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.74 2.293 . . . . 0.0 112.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 16.3 m -114.19 163.27 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -107.99 113.91 27.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.503 ' HB2' HD11 ' A' ' 89' ' ' ILE . 24.0 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' ARG . 64.8 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.783 0.325 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.579 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 18.5 ptt180 -34.47 -37.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' THR . 57.7 m -53.71 -50.05 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.7 m-20 -79.01 -51.21 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.1 mt -46.54 -44.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 54' ' ' VAL . 78.1 t -69.49 -46.79 75.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.5 t -46.38 -43.02 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -68.0 -56.95 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.65 -38.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 57' ' ' GLN . 80.8 mt -67.05 -46.29 74.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -51.32 -26.04 6.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 118' ' ' ASP . 38.9 mt -93.81 -45.84 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.502 ' HB2' HG22 ' A' ' 58' ' ' THR . 38.8 t80 -34.47 -50.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.6 t -59.84 -45.51 92.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.7 OUTLIER -48.66 -57.33 6.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.916 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.7 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.586 HG23 ' HA ' ' A' ' 48' ' ' ALA . 55.5 t -68.98 132.25 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.521 ' O ' ' HB1' ' A' ' 65' ' ' ALA . 79.4 mt -102.78 132.77 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.41 125.55 38.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD22 ' O ' ' A' ' 16' ' ' SER . 15.5 mt -117.45 159.95 21.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 82.8 p -118.75 -175.68 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.34 -29.67 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -100.44 -30.83 11.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.454 ' O ' HD22 ' A' ' 12' ' ' LEU . 25.0 m -92.81 16.62 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.682 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -101.29 -25.44 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -92.55 -54.18 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -64.07 -6.53 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -104.29 -32.85 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.519 HG22 ' CB ' ' A' ' 28' ' ' TRP . 72.5 t -97.34 -63.43 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.43 -55.99 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.21 -13.41 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -107.82 137.99 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -86.16 -4.53 59.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.39 153.13 21.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -71.28 132.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.519 ' CB ' HG22 ' A' ' 21' ' ' VAL . 54.2 m95 -121.38 117.85 27.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.5 mtt -93.46 104.52 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.682 HG21 ' CE2' ' A' ' 17' ' ' PHE . 61.9 t -90.35 124.26 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -123.84 103.78 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -77.41 127.94 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 1.9 p90 -141.37 163.27 33.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -122.34 139.35 30.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.42 18.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.595 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.3 p-90 -114.37 0.52 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.644 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 3.1 t -93.2 118.53 31.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.86 -28.86 64.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -69.63 -20.85 63.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' LEU . 89.7 m -96.24 -41.44 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -47.0 -31.05 2.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -73.7 -31.1 63.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.7 tp -83.5 -21.22 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.2 tt0 -37.65 -58.67 1.26 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.593 0.711 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.72 -42.3 3.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' OE2' HG22 ' A' ' 104' ' ' THR . 22.1 mt-10 -55.36 -34.55 64.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -78.49 -41.18 33.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.586 ' HA ' HG23 ' A' ' 9' ' ' VAL . . . -55.05 -47.53 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.21 -51.76 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -44.16 -40.8 5.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.44 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -68.91 -29.5 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.656 ' HG3' HG11 ' A' ' 109' ' ' VAL . 11.9 tp10 -79.5 -23.15 43.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.461 HG23 HG22 ' A' ' 109' ' ' VAL . 48.9 t -88.08 -42.72 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.7 pttm -69.72 -16.61 63.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -90.75 -35.97 14.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.668 ' HB3' HD21 ' A' ' 113' ' ' LEU . 69.4 mt-30 -84.62 -37.66 20.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.564 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 25.8 p -88.74 21.61 2.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp 53.39 31.13 11.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 74.35 18.1 79.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.489 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -77.56 -60.57 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.8 t -82.04 112.54 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -97.32 148.3 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mp -114.07 122.96 48.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 10' ' ' ILE . . . -123.21 161.54 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.13 151.44 49.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.505 HG13 ' ND2' ' A' ' 72' ' ' ASN . 98.3 t -140.51 153.45 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' N ' HG12 ' A' ' 67' ' ' VAL . 10.9 t0 -106.45 106.96 17.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.463 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -53.32 -15.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.409 HG21 ' HE1' ' A' ' 36' ' ' TRP . 42.1 p -76.99 -28.7 55.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.93 -31.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.63 ' OD1' HD12 ' A' ' 75' ' ' LEU . 2.9 m-80 -89.46 109.9 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -108.64 -35.47 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.62 -41.65 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.63 HD12 ' OD1' ' A' ' 72' ' ' ASN . 16.8 mt -80.36 -51.18 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.33 -25.67 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 t -90.27 -32.23 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -62.46 -41.5 98.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -108.76 -22.28 12.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.84 49.19 3.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.813 HD12 HG21 ' A' ' 86' ' ' THR . 28.0 mm -74.24 103.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 111.148 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -126.52 -27.13 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.57 98.74 1.9 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.579 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -99.93 154.02 37.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.75 163.0 82.93 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.343 -0.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.813 HG21 HD12 ' A' ' 81' ' ' ILE . 92.1 m -138.14 105.66 5.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.8 mt -97.63 115.19 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -127.88 134.48 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 89' ' ' ILE . 4.4 mp -103.56 134.62 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 91.4 m-85 -122.73 122.18 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -105.76 156.61 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -71.63 117.47 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.35 -39.1 2.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.47 156.55 32.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -74.76 143.46 78.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 0.0 110.817 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.57 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.0 Cg_endo -69.72 153.81 68.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.43 HG23 ' HB ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -120.67 175.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.88 108.34 13.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.455 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 41.9 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 106' ' ' SER . 60.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.776 0.322 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.808 ' O ' HG23 ' A' ' 109' ' ' VAL . 20.9 ptt180 -35.87 -33.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' THR . 26.1 m -56.71 -58.9 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.45 -56.15 16.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.4 mt -43.83 -42.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 105' ' ' ARG . 89.6 t -72.12 -46.31 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.5 t -49.6 -46.13 48.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.439 HH12 HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -66.52 -56.33 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.61 -35.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 57' ' ' GLN . 23.1 mt -64.59 -46.3 83.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -53.41 -45.0 69.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 89' ' ' ILE . 8.6 mt -73.87 -39.67 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.564 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 10.8 t80 -42.2 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -48.06 -56.66 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -44.13 -43.28 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.441 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 22.9 t70 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 2.4 t -61.62 114.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -92.12 151.51 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -113.76 129.25 56.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.405 HD22 ' HB2' ' A' ' 20' ' ' ASN . 13.1 mt -115.16 169.18 9.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 m -126.69 161.88 27.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -43.21 -44.9 5.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -95.12 -13.19 25.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -104.82 15.8 27.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.854 ' CE2' HG21 ' A' ' 30' ' ' VAL . 2.0 t80 -90.21 -35.5 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.469 ' HB3' HD12 ' A' ' 22' ' ' LEU . 16.6 m-20 -86.21 -50.83 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.22 -14.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.455 ' O ' ' NE1' ' A' ' 28' ' ' TRP . 7.9 m120 -105.7 -26.97 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.815 HG22 ' CB ' ' A' ' 28' ' ' TRP . 52.4 t -103.04 -63.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 18' ' ' ASP . 16.3 mt -59.48 -59.78 4.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -14.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -105.7 127.87 53.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -74.83 -4.12 35.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.95 156.23 19.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.529 ' CG2' ' CG ' ' A' ' 119' ' ' ASN . 54.2 t -76.02 130.91 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.815 ' CB ' HG22 ' A' ' 21' ' ' VAL . 42.7 m95 -119.47 120.2 36.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 mtp -94.79 105.18 17.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.854 HG21 ' CE2' ' A' ' 17' ' ' PHE . 99.3 t -90.76 129.82 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -126.52 100.76 6.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.585 ' CB ' HG21 ' A' ' 81' ' ' ILE . 58.3 m-85 -74.59 112.34 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 3.1 p90 -116.73 168.02 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB2' ' HD2' ' A' ' 84' ' ' PHE . . . -123.01 132.52 24.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 70' ' ' THR . 53.5 Cg_endo -69.74 -3.96 13.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 -126.08 10.11 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 44.2 t -103.28 141.98 34.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -73.23 -57.95 4.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.462 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . 51.3 m-70 -36.35 -40.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -66.16 -57.2 8.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -40.39 -37.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -84.11 -29.86 26.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' CYS . 43.0 tp -79.63 -16.78 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 tt0 -50.68 -58.62 9.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.76 -25.34 28.69 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -75.77 -30.63 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -82.71 -37.61 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -60.25 -47.18 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.77 -47.66 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -53.28 -36.47 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 8' ' ' ASP . . . -59.32 -46.81 87.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -72.63 -34.09 67.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.537 ' HG2' HG21 ' A' ' 109' ' ' VAL . 9.2 tp10 -74.65 -27.48 60.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.647 HG23 HG22 ' A' ' 109' ' ' VAL . 55.7 t -83.46 -36.84 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -74.36 -18.76 60.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -89.47 -29.31 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.701 ' HB3' HD21 ' A' ' 113' ' ' LEU . 84.1 mt-30 -91.97 -27.65 17.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 54' ' ' VAL . 17.3 p -102.9 8.93 39.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.18 34.58 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.73 -6.18 66.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -53.86 -63.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.418 HG13 ' CG1' ' A' ' 27' ' ' VAL . 11.7 t -83.19 110.52 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 32.1 mttp -93.71 157.62 16.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -129.01 121.8 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.61 171.76 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.09 155.77 47.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.0 t -140.84 130.78 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.653 ' HB2' HG12 ' A' ' 71' ' ' VAL . 1.3 m-20 -80.0 104.5 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -60.96 -9.51 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 35.8 p -84.15 -25.26 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.143 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.653 HG12 ' HB2' ' A' ' 68' ' ' ASP . 8.5 p -112.64 -21.49 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.453 HD22 HG13 ' A' ' 71' ' ' VAL . 3.1 m-80 -96.9 112.78 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -114.65 -35.47 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.49 -38.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.515 HD13 ' CD2' ' A' ' 17' ' ' PHE . 13.2 mt -90.25 -52.41 4.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.23 -40.7 34.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.5 t -76.37 -20.86 56.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 47.0 ttt-85 -69.79 -44.4 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 10.7 m-85 -103.56 -19.06 14.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.9 38.17 7.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.848 HG22 ' HE1' ' A' ' 84' ' ' PHE . 37.3 mm -66.68 102.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -123.66 -31.21 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.11 101.4 2.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.848 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -98.69 153.97 37.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.909 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.76 164.16 79.97 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.381 0.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.589 HG21 HD12 ' A' ' 81' ' ' ILE . 3.6 m -141.52 105.25 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.7 mt -95.19 122.92 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -130.87 136.55 48.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.596 HG21 HD13 ' A' ' 115' ' ' LEU . 4.1 mp -105.4 137.39 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 79.0 m-85 -127.09 128.34 46.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -125.86 129.46 49.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.461 ' CE ' ' O ' ' A' ' 22' ' ' LEU . 17.4 tptp -56.7 127.07 29.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.48 -48.54 1.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.442 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -92.29 156.95 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 64.1 p -74.04 148.61 86.87 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.589 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.1 Cg_endo -69.71 146.11 59.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.87 172.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -111.91 114.29 27.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 19.4 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 106' ' ' SER . 74.4 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.611 ' O ' HG23 ' A' ' 109' ' ' VAL . 25.6 ptt-85 -35.4 -33.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' THR . 2.5 t -57.08 -57.66 11.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -68.21 -54.26 19.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.8 mt -44.01 -37.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.647 HG22 HG23 ' A' ' 54' ' ' VAL . 54.9 t -76.5 -46.72 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.9 t -46.31 -45.68 17.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 114' ' ' ASP . 12.8 tpp180 -62.47 -62.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -34.12 -39.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.701 HD21 ' HB3' ' A' ' 57' ' ' GLN . 31.2 mt -68.52 -48.42 64.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 111' ' ' ARG . 1.6 m-20 -48.39 -34.7 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.596 HD13 HG21 ' A' ' 89' ' ' ILE . 8.1 mt -87.57 -45.64 10.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.431 ' O ' ' C ' ' A' ' 117' ' ' SER . 16.5 t80 -44.29 -55.38 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' PHE . 68.5 m -34.48 -45.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 119' ' ' ASN . 15.9 t70 -84.81 -67.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.529 ' CG ' ' CG2' ' A' ' 27' ' ' VAL . 38.6 m-80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.9 129.39 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 28.9 mt -96.03 135.88 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -99.57 128.31 45.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD22 ' O ' ' A' ' 16' ' ' SER . 55.1 mt -121.23 163.51 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -126.81 178.69 5.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -58.94 -22.51 60.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.55 -23.73 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.497 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.3 t -99.98 17.35 21.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -100.38 -30.7 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -52.75 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -62.46 -8.99 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -105.72 -26.09 11.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.646 HG22 ' CG ' ' A' ' 28' ' ' TRP . 22.7 t -101.71 -57.35 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 21' ' ' VAL . 7.8 mt -64.41 -30.0 71.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -76.87 6.89 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -134.68 138.72 44.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -88.56 25.63 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.18 158.08 21.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.9 t -71.88 129.21 35.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.646 ' CG ' HG22 ' A' ' 21' ' ' VAL . 40.8 m95 -118.96 111.32 18.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.62 112.46 21.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.445 HG21 ' CE2' ' A' ' 17' ' ' PHE . 58.5 t -101.12 110.61 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 86' ' ' THR . 4.7 tp10 -109.29 104.62 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -74.62 124.73 27.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.529 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 1.5 p90 -135.67 162.73 31.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.09 138.64 30.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.636 0.731 . . . . 0.0 111.074 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -14.53 36.19 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.311 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.482 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.3 p-90 -110.63 7.37 22.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 42.2 t -103.42 127.11 50.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.26 -56.69 23.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.476 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . 24.2 m80 -38.83 -41.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -67.1 -52.96 35.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -45.55 -44.41 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -76.5 -29.26 56.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -79.6 -19.35 49.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tt0 -41.87 -58.42 3.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.683 0.754 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.75 -43.76 2.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' OE1' ' CA ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.55 -31.49 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -87.08 -32.76 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.72 -50.23 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.4 76.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.703 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -51.31 -43.05 61.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -38.47 70.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -78.01 -41.8 34.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' HB3' HG21 ' A' ' 109' ' ' VAL . 6.8 tp10 -67.29 -24.84 65.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.971 HG23 HG22 ' A' ' 109' ' ' VAL . 42.1 t -85.35 -48.13 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -65.0 -20.9 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.14 -30.17 22.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.781 ' HB3' HD21 ' A' ' 113' ' ' LEU . 81.2 mt-30 -89.83 -26.58 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 116' ' ' PHE . 48.1 p -99.26 5.15 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 61.84 27.42 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.16 -13.81 66.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 119' ' ' ASN . 0.1 OUTLIER -50.54 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.419 ' HB ' HG21 ' A' ' 58' ' ' THR . 42.1 t -79.97 106.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HE2' ' CZ2' ' A' ' 28' ' ' TRP . 17.0 mtpp -95.55 154.45 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -122.93 121.78 36.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . . . -126.6 152.98 45.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.71 156.55 25.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.1 t -143.97 137.9 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.509 ' CG ' ' HG1' ' A' ' 70' ' ' THR . 53.5 t0 -89.08 106.57 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.31 -11.78 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.509 ' HG1' ' CG ' ' A' ' 68' ' ' ASP . 30.4 p -84.67 -20.85 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.7 t -110.79 -35.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -90.15 109.36 20.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -106.87 -39.44 5.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.5 t -54.85 -40.98 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 17' ' ' PHE . 5.4 mt -83.24 -48.83 10.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.89 -40.89 44.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.3 t -78.11 -39.06 42.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -49.43 -51.94 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -100.52 -18.86 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.43 80.74 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.507 HG22 ' CE1' ' A' ' 84' ' ' PHE . 13.2 mm -109.11 107.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -124.8 -24.89 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.32 98.5 1.37 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.646 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -98.22 154.19 37.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.861 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.71 162.23 84.42 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.357 -0.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.486 HG21 HD12 ' A' ' 81' ' ' ILE . 2.5 m -138.16 108.08 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 mt -98.43 121.7 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -133.22 130.11 38.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.493 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 3.6 mp -92.09 140.24 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -125.59 106.61 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -93.81 163.72 13.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -92.08 110.28 21.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.61 -43.61 1.66 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -98.35 158.5 15.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 p -68.24 151.08 97.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.7 57.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.493 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 15.6 m -103.5 172.81 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -113.25 112.02 23.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.3 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.809 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 106' ' ' SER . 44.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.811 0.339 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.703 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 28.9 ptt180 -34.63 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 104' ' ' THR . 4.8 t -56.1 -57.63 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -70.82 -51.67 25.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.6 mt -47.37 -37.85 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.971 HG22 HG23 ' A' ' 54' ' ' VAL . 36.0 t -78.77 -47.22 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 t -49.07 -34.27 13.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -74.32 -51.64 14.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.81 -37.35 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' A' ' 57' ' ' GLN . 65.9 mt -65.47 -53.38 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -43.93 -35.89 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.0 mt -88.24 -42.07 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.592 ' HB2' HG22 ' A' ' 58' ' ' THR . 22.5 t80 -42.79 -35.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.3 t -74.35 -50.33 19.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -44.02 -46.57 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 41.1 t -78.98 125.85 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.4 mt -97.1 143.24 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -101.93 136.72 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -120.98 173.63 7.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.602 HG22 ' H ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -128.85 173.23 10.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.602 ' H ' HG22 ' A' ' 13' ' ' THR . 4.5 p-10 -65.57 -12.24 51.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -116.91 -44.14 2.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.415 ' HB3' ' ND2' ' A' ' 20' ' ' ASN . 12.9 m -72.23 -23.13 61.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CE2' HG21 ' A' ' 30' ' ' VAL . 1.3 t80 -44.41 -40.84 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -36.54 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 22.4 mmmt -63.61 -18.07 63.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 16' ' ' SER . 13.4 m-80 -105.89 -34.83 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 17' ' ' PHE . 83.0 t -83.63 -64.93 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.49 -37.35 78.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 19' ' ' LYS . 31.1 t0 -65.95 -4.81 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -125.81 134.45 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -84.59 28.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -118.48 158.03 26.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 91' ' ' GLN . 39.7 t -71.0 126.5 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' HB2' HG13 ' A' ' 21' ' ' VAL . 34.6 m95 -116.31 111.12 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 mtp -82.86 102.02 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.595 HG21 ' CE2' ' A' ' 17' ' ' PHE . 20.6 t -91.9 122.5 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -120.73 127.66 52.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.483 ' CB ' HG21 ' A' ' 81' ' ' ILE . 25.7 m-85 -98.69 122.2 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 4.6 p90 -129.98 169.92 14.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -123.12 130.71 24.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.523 0.678 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.68 19.17 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -121.99 16.28 10.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 20.2 t -117.0 123.91 48.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.33 -34.59 85.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -54.14 -20.37 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -95.68 -51.5 4.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -42.41 -29.56 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.33 -29.53 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' CYS . 9.9 tp -80.51 -23.99 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tp10 -35.94 -59.98 0.72 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.693 0.759 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.2 Cg_endo -69.78 -38.79 7.28 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.319 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' OE2' HG22 ' A' ' 104' ' ' THR . 5.4 mm-40 -58.35 -31.68 67.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.435 ' HE3' HD13 ' A' ' 108' ' ' ILE . 60.1 t-105 -85.05 -38.45 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -58.89 -57.61 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.68 -52.23 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.821 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -47.99 -38.52 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.1 86.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -68.09 -42.6 80.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.476 ' CG ' HG11 ' A' ' 109' ' ' VAL . 8.6 tp10 -66.0 -31.26 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.833 HG23 HG22 ' A' ' 109' ' ' VAL . 97.6 t -80.67 -39.19 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -68.44 -34.3 75.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.93 -30.51 61.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -84.38 -56.22 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.568 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 19.9 p -73.8 3.93 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm 62.1 31.23 17.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.02 -11.59 66.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -68.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 112' ' ' ALA . 38.3 t -77.87 103.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -88.96 152.15 21.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.48 125.29 47.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.88 164.34 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.26 161.02 27.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.7 t -143.31 141.85 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.0 103.17 15.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.83 -12.05 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.0 p -83.95 -14.39 51.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.4 t -119.33 -35.93 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -86.98 109.51 19.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -106.1 -39.24 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -53.59 -50.34 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.28 -50.11 23.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.05 -35.1 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -84.33 -26.66 28.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.454 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 18.2 ttt85 -64.08 -41.78 97.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 39.6 m-85 -111.24 -22.52 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.33 75.13 1.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.658 HG22 ' CE1' ' A' ' 84' ' ' PHE . 21.1 mm -99.87 102.23 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -124.86 -29.11 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.38 101.18 1.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.658 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -98.95 153.91 37.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.901 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.4 Cg_endo -69.85 163.95 80.73 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.346 0.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.605 HG21 HD12 ' A' ' 81' ' ' ILE . 38.3 m -140.87 106.55 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 mt -97.0 126.8 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -132.24 139.89 48.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.8 mp -106.9 137.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.456 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 3.1 m-85 -126.69 134.32 50.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.442 ' HG2' HG22 ' A' ' 27' ' ' VAL . 34.3 mt-30 -132.45 128.76 38.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -50.15 145.24 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.88 12.98 16.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -139.93 161.32 37.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.5 p -86.73 146.36 41.08 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.407 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.78 141.66 45.76 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 6.6 m -108.51 161.11 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 1.6 p-10 -103.65 111.7 24.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.858 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.417 HG22 ' OE2' ' A' ' 46' ' ' GLU . 75.0 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.578 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 21.4 ptt180 -38.6 -35.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.2 m -53.42 -57.94 8.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -72.68 -52.16 16.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.435 HD13 ' HE3' ' A' ' 47' ' ' TRP . 62.7 mt -43.7 -39.27 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.833 HG22 HG23 ' A' ' 54' ' ' VAL . 41.5 t -76.75 -48.05 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.8 t -48.11 -42.82 30.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -63.84 -62.5 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.513 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -41.05 -32.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.93 -48.17 66.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -51.09 -40.62 58.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.425 HD13 HG21 ' A' ' 89' ' ' ILE . 25.4 mt -77.44 -47.96 18.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 29.5 t80 -45.64 -38.2 6.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.9 p -52.94 -42.08 65.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -80.53 -57.87 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 27.2 t70 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.348 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 t -78.91 127.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -103.12 144.04 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -104.3 120.57 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 20' ' ' ASN . 79.2 mt -104.6 172.98 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 14' ' ' ASP . 2.3 m -129.73 170.11 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.571 ' H ' HG22 ' A' ' 13' ' ' THR . 3.3 p30 -55.72 -27.03 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -109.2 -43.98 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -59.61 -34.07 72.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.794 ' HE2' HG21 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -50.79 -19.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -86.19 -56.06 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -71.65 -3.05 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.518 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 4.1 m-80 -104.85 -33.26 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 ' CB ' ' A' ' 28' ' ' TRP . 64.1 t -104.54 -60.08 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.81 -56.56 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.38 -10.31 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -107.22 107.76 18.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -56.54 -15.13 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.85 158.06 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.414 ' HB ' HG13 ' A' ' 62' ' ' VAL . 58.9 t -75.36 137.64 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.586 ' CB ' HG22 ' A' ' 21' ' ' VAL . 24.7 m95 -124.69 117.71 24.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.7 mtp -94.23 104.73 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.794 HG21 ' HE2' ' A' ' 17' ' ' PHE . 64.9 t -90.15 127.55 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.567 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 6.4 tp10 -123.19 98.01 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -70.56 125.85 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.456 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 4.7 p90 -133.9 166.86 21.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.18 130.33 24.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -11.26 30.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -115.76 17.39 16.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 t -121.65 138.66 54.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' CYS . . . -68.25 -48.0 55.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -43.47 -22.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -91.39 -47.93 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -50.8 -33.14 22.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.26 -25.84 29.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 46' ' ' GLU . 22.0 tp -82.12 -19.13 40.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 5.0 tp10 -41.87 -60.26 2.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.7 -37.63 9.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.382 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' HB2' HD12 ' A' ' 43' ' ' LEU . 69.4 mt-10 -60.48 -32.51 71.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 52.8 t-105 -86.76 -41.21 14.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.91 -53.78 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -50.29 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.678 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -44.69 -53.36 7.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.89 -39.58 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -73.3 -35.23 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.572 ' HB3' HG21 ' A' ' 109' ' ' VAL . 14.5 tp10 -77.86 -24.04 48.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.921 HG23 HG22 ' A' ' 109' ' ' VAL . 55.2 t -80.3 -41.48 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -74.68 -25.26 59.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.08 -25.0 43.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.594 ' HB3' HD21 ' A' ' 113' ' ' LEU . 88.9 mt-30 -98.86 -37.58 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 54' ' ' VAL . 9.1 p -86.15 11.26 12.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt 60.77 25.13 14.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.79 -1.55 85.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -61.21 -74.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.414 HG13 ' HB ' ' A' ' 27' ' ' VAL . 3.7 t -70.12 108.61 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -95.09 154.33 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -121.12 120.23 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.93 165.0 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.98 154.61 42.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.523 HG23 HG13 ' A' ' 30' ' ' VAL . 60.4 t -135.3 138.5 48.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -90.6 94.66 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.51 -15.49 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.7 p -76.44 -27.5 56.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.7 -38.33 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.2 108.88 16.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -105.67 -37.58 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.32 -47.48 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.72 -56.58 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.76 -44.91 28.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.8 t -72.59 -26.68 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -67.41 -43.86 80.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -101.7 -15.64 16.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 78.69 53.83 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.77 HD12 HG21 ' A' ' 86' ' ' THR . 22.6 mm -84.97 102.87 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 111.149 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.68 -23.09 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.11 102.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.686 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -101.04 153.98 37.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.79 166.09 75.05 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.304 0.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.77 HG21 HD12 ' A' ' 81' ' ' ILE . 33.0 m -141.88 106.87 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.3 mt -98.04 113.2 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -123.99 143.58 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.438 ' HB ' HG23 ' A' ' 97' ' ' VAL . 4.1 mp -106.02 143.96 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 29.0 m-85 -133.53 131.31 39.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -123.21 162.36 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.93 139.19 37.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 60.72 15.88 43.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -136.79 176.43 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.377 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -100.48 150.32 36.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.686 0.755 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.503 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.4 Cg_endo -69.82 146.11 58.83 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.438 HG23 ' HB ' ' A' ' 89' ' ' ILE . 4.0 m -119.63 166.38 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.17 117.35 32.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.827 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ARG . 24.6 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.778 0.323 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.678 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.3 ptt180 -37.09 -37.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.6 m -55.34 -55.58 29.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -70.72 -54.02 13.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.442 HD13 ' CE3' ' A' ' 47' ' ' TRP . 49.4 mt -45.22 -43.09 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.921 HG22 HG23 ' A' ' 54' ' ' VAL . 78.6 t -77.64 -47.27 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.0 t -47.99 -35.03 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -47.32 16.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.99 -40.25 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 57' ' ' GLN . 19.3 mt -57.66 -40.69 79.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.5 -41.82 77.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.6 -33.79 62.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.496 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 46.3 t80 -48.62 -67.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' ASP . 71.2 m -49.4 -52.99 24.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' SER . 5.3 m-20 -36.28 -45.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -68.03 142.63 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.406 ' CD1' ' NZ ' ' A' ' 63' ' ' LYS . 77.7 mt -113.38 135.74 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -97.54 128.62 44.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.423 HD22 ' O ' ' A' ' 16' ' ' SER . 38.2 mt -119.78 166.16 13.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.56 HG22 ' N ' ' A' ' 14' ' ' ASP . 10.5 m -128.43 166.55 18.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.191 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.56 ' N ' HG22 ' A' ' 13' ' ' THR . 1.3 p-10 -46.19 -35.92 5.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -100.43 -31.46 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' HD22 ' A' ' 12' ' ' LEU . 9.2 t -89.22 15.24 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.62 -29.31 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.6 -44.6 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -72.77 -6.92 47.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -103.39 -33.0 9.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.639 HG22 ' CG ' ' A' ' 28' ' ' TRP . 61.5 t -99.73 -57.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.86 -35.46 74.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.87 0.52 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 t -125.48 142.2 51.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -94.23 30.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.41 157.79 25.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.584 HG23 ' NZ ' ' A' ' 61' ' ' LYS . 57.4 t -71.67 123.37 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.639 ' CG ' HG22 ' A' ' 21' ' ' VAL . 49.4 m95 -114.19 111.11 21.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.3 mtp -88.02 99.05 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.551 HG21 ' CE2' ' A' ' 17' ' ' PHE . 86.1 t -89.77 119.84 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' CD ' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -115.1 106.52 14.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CG ' HG21 ' A' ' 81' ' ' ILE . 25.5 m-85 -77.52 135.53 38.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 3.6 p90 -144.01 163.95 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -122.11 138.15 28.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.96 22.38 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -120.58 19.94 11.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 14.7 t -116.29 121.5 42.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.68 -43.88 73.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -51.57 -19.25 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 67.3 m -96.11 -47.1 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -48.36 -33.1 8.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -76.66 -27.55 55.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 46' ' ' GLU . 10.8 tp -84.74 -19.99 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 tt0 -38.73 -58.57 1.61 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.611 0.719 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.78 -32.14 19.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.761 ' OE2' HG22 ' A' ' 104' ' ' THR . 63.6 mt-10 -66.91 -28.01 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.528 ' CE3' HD13 ' A' ' 108' ' ' ILE . 64.6 t-105 -87.23 -39.39 15.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.91 -60.84 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.1 -53.84 37.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.892 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -44.69 -52.8 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.54 -33.35 6.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -80.39 -46.2 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.539 ' CG ' HG11 ' A' ' 109' ' ' VAL . 7.0 tp10 -67.02 -22.11 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.649 HG23 HG22 ' A' ' 109' ' ' VAL . 54.8 t -86.27 -43.45 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -68.99 -21.79 64.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -82.87 -40.96 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.639 ' HB3' HD21 ' A' ' 113' ' ' LEU . 64.0 mt-30 -78.62 -43.7 25.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 54' ' ' VAL . 8.5 p -82.41 9.84 8.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt 56.43 26.16 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.49 -7.68 79.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.584 ' NZ ' HG23 ' A' ' 27' ' ' VAL . 25.2 tptp -52.34 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 t -82.61 104.9 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 3.2 mtpm? -91.46 154.99 18.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mp -121.4 129.85 53.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.93 162.99 31.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.45 168.95 12.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.412 HG13 ' ND2' ' A' ' 72' ' ' ASN . 99.3 t -154.51 139.72 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.02 99.83 12.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.5 -18.06 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 64.3 p -71.55 -27.51 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.2 t -110.04 -29.03 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.412 ' ND2' HG13 ' A' ' 67' ' ' VAL . 5.8 m-80 -88.33 107.27 18.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -108.49 -33.35 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.3 -39.98 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' A' ' 17' ' ' PHE . 11.3 mt -85.84 -55.14 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.99 -27.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -85.01 -39.7 17.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.0 ttt-85 -54.19 -47.99 71.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 88' ' ' LYS . 2.8 m-85 -100.34 -21.54 15.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.76 40.09 8.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.707 HD12 HG21 ' A' ' 86' ' ' THR . 23.9 mm -64.53 104.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.777 0.322 . . . . 0.0 111.166 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -129.57 -30.46 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.84 93.81 1.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.559 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -94.18 153.99 40.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.76 153.65 93.03 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.374 0.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.707 HG21 HD12 ' A' ' 81' ' ' ILE . 32.2 m -132.35 123.86 27.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.1 mt -116.87 134.56 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 79' ' ' TYR . 15.3 mmtp -140.22 136.23 33.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 89' ' ' ILE . 4.0 mp -101.56 134.04 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -118.95 114.52 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -110.67 115.84 30.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -56.95 111.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.92 -46.27 1.09 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -120.87 171.25 8.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 p -61.2 155.48 56.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 176.2 7.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 98' ' ' ASP . 39.8 t -131.16 160.48 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.533 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 6.0 p-10 -116.09 105.73 12.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.523 ' HB2' HD11 ' A' ' 89' ' ' ILE . 49.8 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.761 HG22 ' OE2' ' A' ' 46' ' ' GLU . 74.7 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.795 0.331 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.892 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 19.1 ptt180 -37.81 -33.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.4 m -69.42 -45.12 69.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.3 m-20 -78.57 -52.26 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.528 HD13 ' CE3' ' A' ' 47' ' ' TRP . 41.3 mt -48.62 -46.76 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 105' ' ' ARG . 76.3 t -64.7 -46.27 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -56.34 -26.63 53.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -85.62 -58.47 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.01 -42.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 57' ' ' GLN . 77.0 mt -57.72 -47.75 81.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -44.63 -46.89 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 89' ' ' ILE . 15.9 mt -72.64 -46.22 55.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -39.37 -55.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.2 p -54.0 -41.31 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -58.67 -64.2 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.4 t -57.43 110.33 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.5 mt -91.7 141.43 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.174 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -103.24 137.21 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.438 HD21 ' CZ3' ' A' ' 28' ' ' TRP . 14.5 mt -120.4 163.12 18.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 14' ' ' ASP . 1.4 m -125.55 164.46 20.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' H ' HG22 ' A' ' 13' ' ' THR . 0.6 OUTLIER -40.74 -38.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -101.58 -20.16 15.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -95.63 16.01 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.574 ' HE2' HG21 ' A' ' 30' ' ' VAL . 1.9 t80 -96.39 -34.5 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -91.2 -53.31 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -15.27 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -103.45 -24.3 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.514 HG22 ' CG ' ' A' ' 28' ' ' TRP . 80.7 t -104.48 -63.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.53 -48.07 83.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -76.98 7.69 4.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -122.79 129.19 51.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.46 34.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.466 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -125.31 158.26 34.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -81.0 123.28 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.514 ' CG ' HG22 ' A' ' 21' ' ' VAL . 72.3 m95 -114.19 116.12 28.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.3 mtp -94.01 99.07 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.574 HG21 ' HE2' ' A' ' 17' ' ' PHE . 90.2 t -82.57 125.78 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.705 ' OE2' HD21 ' A' ' 43' ' ' LEU . 7.8 tt0 -123.32 92.48 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CG ' HG21 ' A' ' 81' ' ' ILE . 55.0 m-85 -63.53 128.65 36.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 2.3 p90 -140.11 164.35 30.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.04 135.97 26.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -12.88 33.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -114.91 13.2 17.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 23.9 t -111.09 108.52 18.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.69 -48.58 7.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -41.25 -50.69 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.4 t -56.56 -55.55 32.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -43.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -75.28 -28.57 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.705 HD21 ' OE2' ' A' ' 31' ' ' GLU . 50.3 tp -80.45 -22.17 41.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.513 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.3 tt0 -45.92 -59.5 4.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.684 0.754 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.78 -30.99 21.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.82 -28.4 66.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.511 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 53.1 t-105 -89.39 -40.96 12.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.53 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.63 75.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -53.19 -45.03 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -45.16 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -70.57 -34.4 72.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.568 ' HG3' HG11 ' A' ' 109' ' ' VAL . 6.5 tp10 -76.17 -24.54 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 50' ' ' ALA . 87.7 t -85.1 -38.75 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -73.04 -30.83 64.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -75.92 -29.53 58.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.577 ' HB3' HD21 ' A' ' 113' ' ' LEU . 80.4 mt-30 -89.47 -41.9 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.499 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 39.8 p -84.23 21.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 47.71 29.41 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.11 28.81 55.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' O ' ' OD2' ' A' ' 26' ' ' ASP . 25.7 tptt -92.27 -44.56 8.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.6 t -96.64 113.61 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -97.81 148.95 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.483 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.0 mp -117.32 119.35 34.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.28 164.85 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.97 149.53 52.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.3 t -140.87 149.89 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.661 ' HB3' HG12 ' A' ' 71' ' ' VAL . 22.0 t0 -102.16 111.01 23.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . . . -61.02 -8.91 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -82.87 -29.3 29.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.661 HG12 ' HB3' ' A' ' 68' ' ' ASP . 7.5 p -107.5 -27.92 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.572 HD22 HG13 ' A' ' 71' ' ' VAL . 5.8 m-80 -95.38 112.79 24.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -111.09 -40.36 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -53.67 -37.7 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.08 -47.92 9.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.478 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -50.09 -43.28 51.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -75.33 -42.52 54.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -43.58 -51.3 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -105.14 -22.7 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 88.98 81.91 1.3 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.454 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.558 HD12 HG21 ' A' ' 86' ' ' THR . 28.3 mm -109.16 99.87 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -123.57 -19.73 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.17 98.13 1.07 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.609 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -96.56 153.88 38.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.726 . . . . 0.0 110.89 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.73 161.27 86.43 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.326 -0.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.558 HG21 HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -137.84 112.69 8.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -106.14 124.98 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -136.0 139.16 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.635 ' HB ' HG12 ' A' ' 97' ' ' VAL . 5.1 mp -103.33 137.9 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 96' ' ' PRO . 97.9 m-85 -125.81 107.67 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -93.96 128.97 40.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -61.0 115.81 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.415 ' N ' ' HD2' ' A' ' 92' ' ' LYS . . . 101.71 -38.9 2.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -96.42 176.45 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m -85.69 155.27 59.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.468 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.73 175.12 8.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.635 HG12 ' HB ' ' A' ' 89' ' ' ILE . 8.1 p -144.73 167.49 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.581 ' N ' HG22 ' A' ' 97' ' ' VAL . 6.4 p-10 -110.1 106.1 15.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.809 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ARG . 65.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.799 0.333 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 109' ' ' VAL . 14.6 ptt85 -36.41 -37.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 m -49.82 -58.71 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -67.84 -54.56 18.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.8 mt -43.74 -40.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 105' ' ' ARG . 82.9 t -73.27 -47.92 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.3 t -45.45 -47.15 13.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 114' ' ' ASP . 5.5 tpp85 -63.17 -59.55 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 54' ' ' VAL . . . -36.89 -37.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 57' ' ' GLN . 78.4 mt -70.56 -42.58 70.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 111' ' ' ARG . 7.4 m-20 -51.82 -38.67 56.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.9 mt -83.62 -38.79 21.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.499 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 31.3 t80 -53.99 -30.98 49.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.3 p -86.34 15.68 5.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.97 -30.94 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.902 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 10.4 t70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.16 119.68 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.8 mt -101.88 133.2 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -91.94 129.92 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.852 HD22 ' CG ' ' A' ' 20' ' ' ASN . 29.8 mt -112.21 177.32 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.625 HG22 ' H ' ' A' ' 14' ' ' ASP . 1.1 m -133.4 173.15 11.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 13' ' ' THR . 0.7 OUTLIER -57.14 -64.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -85.95 24.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 24.9 m -126.75 -29.99 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.726 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -50.45 -23.64 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.593 ' HB3' HD12 ' A' ' 22' ' ' LEU . 57.3 m-20 -95.99 -19.21 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 6.9 ptmt -91.11 -11.72 37.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.852 ' CG ' HD22 ' A' ' 12' ' ' LEU . 2.9 p30 -106.29 -33.4 7.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.52 -66.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD12 ' HB3' ' A' ' 18' ' ' ASP . 20.2 mt -53.82 -46.93 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -54.18 -14.88 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -121.83 137.69 54.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.03 28.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.5 158.11 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.407 ' HB ' HG13 ' A' ' 62' ' ' VAL . 59.2 t -71.2 123.45 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -113.96 110.96 20.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.7 mtp -84.1 99.67 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.726 HG21 ' CE2' ' A' ' 17' ' ' PHE . 66.2 t -89.68 124.2 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' OE2' ' C ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -123.66 126.2 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -97.59 121.8 39.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.433 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 7.2 p90 -127.65 169.84 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.1 131.59 24.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -10.33 28.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -118.76 19.12 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 13.9 t -116.36 142.62 46.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -69.96 -57.66 6.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' GLY . 87.1 m-70 -34.42 -48.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.7 t -59.71 -56.11 25.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -40.93 -33.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -86.02 -30.64 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' CYS . 32.5 tp -80.15 -14.18 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.2 tt0 -53.41 -60.06 7.89 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.645 0.736 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.0 Cg_endo -69.76 -28.99 24.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.49 -38.61 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -77.17 -42.44 37.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.53 80.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.19 -54.73 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -45.18 -47.74 12.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' A' ' 8' ' ' ASP . . . -47.47 -43.38 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -69.83 -45.59 67.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.514 ' HG3' HG11 ' A' ' 109' ' ' VAL . 5.5 tp10 -66.14 -24.62 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.7 HG23 HG22 ' A' ' 109' ' ' VAL . 94.3 t -84.61 -39.99 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -65.25 -36.27 83.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.475 ' HB3' ' CD2' ' A' ' 113' ' ' LEU . 71.9 mt-30 -79.84 -35.94 37.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.563 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 30.4 p -96.98 1.41 50.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 61.95 29.75 17.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.45 -7.31 82.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -57.36 12.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.407 HG13 ' HB ' ' A' ' 27' ' ' VAL . 18.4 t -93.17 102.09 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -89.39 158.64 17.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mp -121.82 124.39 44.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.86 156.64 39.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.87 157.67 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.3 t -142.96 142.1 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.56 98.88 11.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.81 -14.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 p -76.09 -25.72 55.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.6 t -111.87 -36.97 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -82.29 108.4 15.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -107.56 -36.9 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.04 -41.32 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.43 -52.94 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.11 -43.37 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -73.18 -39.22 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -50.26 -49.38 53.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -100.96 -20.42 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 82.22 72.06 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.64 HD12 HG21 ' A' ' 86' ' ' THR . 3.5 mm -104.25 114.37 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -131.03 -31.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.25 94.83 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.54 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -93.82 154.65 40.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.89 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.73 160.86 87.24 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.383 -0.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.64 HG21 HD12 ' A' ' 81' ' ' ILE . 41.5 m -139.88 108.46 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 18.2 mt -98.69 124.22 51.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -131.81 131.37 42.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.626 HG21 HD13 ' A' ' 115' ' ' LEU . 4.4 mp -97.97 134.65 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 69.3 m-85 -118.16 129.42 55.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -119.01 139.04 52.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -63.88 111.37 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.98 -50.85 0.88 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -84.52 162.41 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.7 p -76.95 152.76 82.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.448 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.76 137.61 35.86 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.485 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 14.8 m -100.02 158.41 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.07 114.92 27.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.483 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 20.1 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 48.3 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 109' ' ' VAL . 21.4 ptt180 -40.16 -39.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 t -50.14 -61.19 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.92 -55.51 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.5 mt -42.95 -43.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.7 HG22 HG23 ' A' ' 54' ' ' VAL . 72.2 t -70.94 -49.3 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.2 t -43.25 -47.21 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -60.86 -60.79 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.44 -34.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 57' ' ' GLN . 71.4 mt -69.36 -53.55 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -46.2 -36.97 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.626 HD13 HG21 ' A' ' 89' ' ' ILE . 13.7 mt -86.33 -42.84 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.563 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 12.7 t80 -43.94 -32.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -73.31 -47.02 46.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -47.95 -44.62 30.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.96 120.49 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -92.73 139.64 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -97.48 129.27 44.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 mt -123.78 162.46 23.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.3 p -119.03 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -63.3 -20.51 65.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -107.29 -49.86 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -60.39 -25.64 66.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.799 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.809 ' HE2' HG21 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -58.78 -15.78 13.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -90.54 -49.95 6.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.2 OUTLIER -73.67 -6.55 47.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.497 ' O ' ' NE1' ' A' ' 28' ' ' TRP . 8.2 m-80 -103.69 -31.37 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 28' ' ' TRP . 76.6 t -104.96 -62.71 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.39 -61.44 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.43 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 11.1 t70 -56.32 -14.07 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 t -98.95 133.91 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -90.53 27.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -123.83 158.07 32.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.06 125.56 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.561 ' CB ' HG22 ' A' ' 21' ' ' VAL . 47.5 m95 -117.26 117.65 30.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.64 113.7 25.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.809 HG21 ' HE2' ' A' ' 17' ' ' PHE . 60.2 t -102.16 111.64 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.453 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 8.7 tm-20 -108.25 93.1 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.468 ' CG ' HG21 ' A' ' 81' ' ' ILE . 64.3 m-85 -62.7 117.07 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.8 p90 -124.63 164.63 19.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.24 135.09 25.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -10.3 28.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.393 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -120.02 17.08 12.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 13.0 t -114.2 114.01 25.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.843 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -46.92 -55.01 8.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 38' ' ' GLY . 28.4 m170 -34.64 -53.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -54.63 -56.73 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -43.01 -42.85 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -74.99 -25.44 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.697 HD12 ' HB2' ' A' ' 46' ' ' GLU . 28.9 tp -86.34 -17.35 34.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.8 tt0 -42.3 -58.34 3.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.74 -41.08 4.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.39 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.697 ' HB2' HD12 ' A' ' 43' ' ' LEU . 24.3 mm-40 -58.57 -31.69 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.453 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 57.8 t-105 -88.03 -37.71 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.24 92.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HB1' ' HD2' ' A' ' 105' ' ' ARG . . . -68.51 -47.31 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -52.86 -41.63 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.7 84.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -75.76 -29.79 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -81.25 -23.19 38.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 50' ' ' ALA . 69.6 t -86.11 -41.01 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -73.2 -19.6 61.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -87.24 -28.86 22.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.621 ' HB3' HD21 ' A' ' 113' ' ' LEU . 80.0 mt-30 -91.69 -45.52 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.453 HG21 ' HB ' ' A' ' 62' ' ' VAL . 26.4 p -77.5 8.09 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 61.04 25.6 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.35 -8.61 79.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -69.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.453 ' HB ' HG21 ' A' ' 58' ' ' THR . 19.5 t -78.33 105.85 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -94.98 146.97 23.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -112.88 126.65 55.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.68 171.93 11.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.51 142.23 45.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.3 t -129.87 152.13 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.712 ' HB2' HG12 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -98.97 109.85 22.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . . . -68.34 -2.64 8.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.9 p -89.33 -25.77 21.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.712 HG12 ' HB2' ' A' ' 68' ' ' ASP . 14.6 p -112.77 -25.74 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.64 HD22 HG13 ' A' ' 71' ' ' VAL . 3.7 m-80 -94.21 111.73 23.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -111.05 -37.36 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.4 t -50.74 -42.95 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.02 -49.99 8.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -46.77 -43.38 18.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 t -76.28 -45.0 34.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -42.59 -49.02 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -106.02 -21.79 13.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 85.7 82.84 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.468 HG21 ' CG ' ' A' ' 32' ' ' PHE . 7.3 mm -113.21 103.63 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.12 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -125.67 -14.68 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.06 96.03 0.83 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.656 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -98.82 154.89 37.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.8 154.03 93.27 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.33 0.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.0 m -134.83 117.34 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.419 ' C ' ' HG2' ' A' ' 88' ' ' LYS . 17.2 mt -109.25 131.08 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.419 ' HG2' ' C ' ' A' ' 87' ' ' ILE . 23.6 mmtt -141.81 136.35 30.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -93.54 144.03 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -132.06 120.74 22.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 94' ' ' GLU . 38.4 mt-30 -108.75 154.73 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -67.74 99.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.96 -40.78 2.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 91' ' ' GLN . 16.0 mt-10 -67.73 170.36 8.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.41 144.58 43.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.9 47.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.601 HG12 ' N ' ' A' ' 98' ' ' ASP . 23.7 t -110.94 166.88 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.601 ' N ' HG12 ' A' ' 97' ' ' VAL . 6.2 m-20 -119.72 82.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.835 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.434 ' C ' HD12 ' A' ' 108' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.84 0.352 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.688 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.5 ptt-85 -52.06 -32.39 34.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -62.32 -62.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.56 -56.55 18.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.434 HD12 ' C ' ' A' ' 104' ' ' THR . 29.1 mt -44.01 -42.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 105' ' ' ARG . 41.3 t -70.25 -51.02 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.8 t -44.59 -46.06 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ASP . 13.4 tpp180 -61.96 -62.04 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -35.47 -37.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 57' ' ' GLN . 62.9 mt -69.69 -47.94 61.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' ARG . 14.8 t70 -47.54 -36.31 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt -85.47 -46.37 10.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 117' ' ' SER . 20.9 t80 -49.43 -56.47 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 116' ' ' PHE . 22.2 t -34.52 -38.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.22 -61.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.523 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 9.6 t70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 47.5 t -88.07 100.82 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.4 mt -78.2 137.38 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -99.39 127.51 45.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 16' ' ' SER . 27.0 mt -120.31 166.16 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 39.9 p -132.7 172.55 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -45.92 -38.84 8.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.67 -39.08 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.471 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.2 t -84.0 17.44 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -100.88 -34.48 9.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.41 -54.64 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -12.98 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -104.04 -29.19 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.622 HG22 ' CB ' ' A' ' 28' ' ' TRP . 55.9 t -101.24 -65.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.068 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.9 mt -53.53 -45.84 69.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.2 7.81 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.404 ' CB ' ' HE1' ' A' ' 28' ' ' TRP . 47.8 t -120.97 110.99 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.05 -16.85 34.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.06 155.75 27.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.655 HG23 ' NZ ' ' A' ' 61' ' ' LYS . 79.3 t -71.15 142.64 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.622 ' CB ' HG22 ' A' ' 21' ' ' VAL . 56.8 m95 -131.13 112.14 12.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.8 mtp -91.57 100.89 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.571 HG21 ' CE2' ' A' ' 17' ' ' PHE . 78.5 t -89.29 125.96 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.802 ' CD ' HD21 ' A' ' 43' ' ' LEU . 26.0 tt0 -121.13 109.1 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -79.11 132.49 36.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 1.8 p90 -144.72 162.41 36.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.2 138.92 30.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 111.092 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HD2' HG21 ' A' ' 70' ' ' THR . 53.9 Cg_endo -69.76 -10.39 28.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.28 . . . . 0.0 112.341 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.4 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.0 p-90 -114.78 21.59 14.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 3.5 t -123.05 120.46 33.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.3 -47.58 86.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -46.52 -20.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' LEU . 89.4 m -93.43 -51.04 5.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -44.22 -38.84 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -72.98 -29.8 63.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.802 HD21 ' CD ' ' A' ' 31' ' ' GLU . 14.8 tp -83.29 -19.55 36.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.574 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.3 tp10 -44.21 -55.82 9.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.3 Cg_endo -69.72 -45.1 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.499 ' OE1' ' CA ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -53.07 -44.69 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.51 ' CE3' ' OE1' ' A' ' 31' ' ' GLU . 65.7 t-105 -65.63 -43.33 89.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -56.01 -46.43 78.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 105' ' ' ARG . . . -65.04 -46.59 80.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -54.72 -42.13 71.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.523 ' HB1' ' HB3' ' A' ' 8' ' ' ASP . . . -53.72 -50.52 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -66.18 -41.15 90.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.528 ' HG3' HG11 ' A' ' 109' ' ' VAL . 4.5 tp10 -69.18 -23.23 63.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 50' ' ' ALA . 54.1 t -84.57 -44.46 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 37.8 pttt -69.1 -24.71 64.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.76 -33.76 30.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.66 ' HB3' HD21 ' A' ' 113' ' ' LEU . 83.1 mt-30 -88.6 -28.48 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 54' ' ' VAL . 28.7 p -100.13 19.49 16.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 51.61 25.94 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 80.0 22.48 63.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.655 ' NZ ' HG23 ' A' ' 27' ' ' VAL . 25.1 tptp -79.6 -56.99 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.43 111.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -94.45 146.72 23.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.505 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.7 mp -113.97 124.72 52.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.36 162.46 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.143 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.78 146.48 50.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -137.47 144.82 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' OD1' ' HD3' ' A' ' 35' ' ' PRO . 11.2 t0 -102.91 103.26 13.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.95 -18.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.415 HG21 ' HD2' ' A' ' 35' ' ' PRO . 41.0 p -71.8 -31.99 67.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.85 -31.51 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.488 ' OD1' HD12 ' A' ' 75' ' ' LEU . 2.8 m-80 -87.15 109.86 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -107.53 -38.18 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.39 -41.47 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.488 HD12 ' OD1' ' A' ' 72' ' ' ASN . 14.4 mt -81.51 -57.46 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -43.08 -39.51 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -79.47 -41.97 26.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.532 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -56.57 -51.3 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.532 ' CZ ' ' HD2' ' A' ' 78' ' ' ARG . 30.0 m-85 -93.11 -21.14 19.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 83.5 45.43 6.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.614 HG22 ' CE1' ' A' ' 84' ' ' PHE . 14.9 mm -74.83 110.51 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -131.17 -33.0 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.99 100.49 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.614 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -100.61 154.12 37.36 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.699 0.762 . . . . 0.0 110.86 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.75 162.36 84.26 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.39 0.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.403 HG21 HD12 ' A' ' 81' ' ' ILE . 15.2 m -138.63 110.34 7.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.196 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.4 mt -100.25 121.23 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -130.74 145.04 51.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.481 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.5 mp -114.16 141.25 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 69.6 m-85 -130.78 121.63 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.555 ' HG2' HG22 ' A' ' 27' ' ' VAL . 82.0 mt-30 -123.51 149.57 45.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -75.63 121.99 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.48 -43.07 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.43 167.83 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -81.53 159.16 67.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.674 0.749 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.564 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.4 Cg_endo -69.76 136.55 33.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.613 2.209 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.481 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 6.7 m -101.1 173.67 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -117.37 109.02 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.472 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 14.1 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 105' ' ' ARG . 51.6 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.784 0.326 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.61 ' O ' HG23 ' A' ' 109' ' ' VAL . 18.8 ptt180 -36.14 -37.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 m -50.56 -58.39 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -69.77 -53.61 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.2 mt -42.44 -40.5 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 105' ' ' ARG . 72.0 t -73.08 -48.5 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.9 t -46.41 -46.76 18.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.635 ' CZ ' HD21 ' A' ' 115' ' ' LEU . 20.6 tpt180 -63.3 -50.71 68.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -43.92 -40.08 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 57' ' ' GLN . 78.5 mt -66.97 -43.2 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.01 -37.2 52.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.635 HD21 ' CZ ' ' A' ' 111' ' ' ARG . 4.5 mt -85.63 -37.1 19.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -52.87 -57.4 10.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.5 m -56.89 -12.84 2.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -80.61 -62.07 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.915 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -64.97 141.7 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.5 mt -104.72 131.84 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -88.52 116.14 26.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 mt -113.26 157.85 21.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.1 p -113.01 -175.11 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.43 2.24 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -118.58 -52.1 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 p -70.73 -22.08 62.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.649 ' CD2' HD13 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -44.77 -37.57 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.46 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -84.14 -41.92 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -69.24 -11.36 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -106.03 -27.94 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.444 HG22 ' CG ' ' A' ' 28' ' ' TRP . 99.0 t -102.4 -66.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 18' ' ' ASP . 33.3 mt -58.6 -39.96 81.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.74 4.9 14.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -128.02 125.84 40.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.4 38.79 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.07 157.95 36.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.77 123.89 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CG ' HG22 ' A' ' 21' ' ' VAL . 59.9 m95 -117.96 112.85 20.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.4 mtt -89.9 103.57 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -93.16 117.32 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.703 ' CD ' HD21 ' A' ' 43' ' ' LEU . 40.3 tt0 -118.1 106.74 13.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -77.51 122.79 25.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -127.4 163.36 24.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' HB2' ' HD2' ' A' ' 84' ' ' PHE . . . -123.21 129.73 24.82 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.598 0.713 . . . . 0.0 111.101 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -4.25 13.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -125.01 26.79 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 11.7 t -125.72 114.52 18.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -59.34 -67.68 2.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' GLY . 2.4 t-80 -37.47 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLY . 1.7 t -84.9 -42.19 15.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' GLY . 8.2 ptmt -52.01 -35.43 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -67.2 -21.92 65.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.703 HD21 ' CD ' ' A' ' 31' ' ' GLU . 3.4 tp -88.21 -30.9 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.539 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 tp10 -34.72 -58.1 0.71 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.636 0.731 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.77 -35.9 11.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' OE2' HG23 ' A' ' 104' ' ' THR . 2.4 mm-40 -62.24 -32.05 72.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.584 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 67.5 t-105 -81.5 -43.28 19.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.36 -58.18 6.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.62 -53.5 51.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.777 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -43.66 -55.18 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.2 -42.15 8.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -72.44 -39.81 67.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.756 ' HG2' HG11 ' A' ' 109' ' ' VAL . 7.8 tt0 -77.48 -14.58 59.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.809 HG23 HG22 ' A' ' 109' ' ' VAL . 47.6 t -92.27 -42.6 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' GLY . 15.3 pttm -69.85 -31.56 69.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.89 -36.05 72.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.594 ' HB3' HD21 ' A' ' 113' ' ' LEU . 79.3 mt-30 -83.81 -44.09 14.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.5 HG22 ' HB2' ' A' ' 116' ' ' PHE . 72.6 p -80.38 12.94 2.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm 54.13 26.2 6.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 92.48 -15.14 63.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -48.44 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.409 ' HB ' HG21 ' A' ' 58' ' ' THR . 39.7 t -80.83 112.2 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -103.41 145.05 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.453 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.9 mp -111.23 123.1 49.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.37 163.41 19.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.07 152.76 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.6 t -139.97 141.49 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.81 94.73 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.34 -17.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.9 p -68.09 -33.12 73.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.4 p -109.36 -34.5 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -80.66 108.84 14.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -111.51 -39.8 4.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.3 t -50.25 -38.89 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.649 HD13 ' CD2' ' A' ' 17' ' ' PHE . 15.1 mt -89.17 -54.0 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.16 -44.29 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -74.24 -43.34 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 15.3 ttt85 -41.75 -49.13 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 14.7 m-85 -101.5 -22.14 14.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.0 72.96 1.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.852 HD12 HG21 ' A' ' 86' ' ' THR . 17.8 mm -97.47 99.23 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.343 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -123.62 34.95 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.31 88.78 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.644 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -92.0 154.26 43.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.847 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.76 160.12 88.55 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.31 0.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.852 HG21 HD12 ' A' ' 81' ' ' ILE . 45.2 m -139.83 105.96 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.9 mt -98.33 116.72 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -127.24 129.68 48.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.48 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -96.0 139.27 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -125.33 125.48 43.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -116.11 141.65 47.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 118.11 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.26 -48.59 2.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -82.41 161.14 22.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.1 p -76.13 153.17 84.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.685 0.755 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.32 59.83 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.737 2.291 . . . . 0.0 112.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 18.9 m -117.8 144.43 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.22 110.9 22.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.4 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.806 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.434 HG23 ' OE2' ' A' ' 46' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.805 0.336 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.777 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.3 ptt-85 -45.81 -37.36 6.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.7 m -57.97 -54.04 51.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -72.3 -53.73 11.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.3 mt -41.93 -47.64 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.809 HG22 HG23 ' A' ' 54' ' ' VAL . 98.9 t -64.06 -49.18 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -42.53 -48.02 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 112' ' ' ALA . 7.4 tpp180 -62.38 -63.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -36.49 -38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 57' ' ' GLN . 29.1 mt -64.82 -56.75 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 114' ' ' ASP . 37.5 t0 -47.02 -41.26 16.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.37 -38.39 55.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.5 ' HB2' HG22 ' A' ' 58' ' ' THR . 30.3 t80 -50.76 -48.51 59.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.6 p -61.95 -31.74 72.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -62.26 -57.49 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.08 132.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 17.2 mt -108.4 140.21 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -101.4 116.59 33.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 90.8 mt -113.96 153.9 28.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.44 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 3.7 p -115.02 -175.55 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -53.77 54.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -77.29 -47.25 20.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -56.49 -45.69 80.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.826 ' HE2' HG21 ' A' ' 30' ' ' VAL . 2.7 t80 -43.99 -24.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.672 ' HB3' HD12 ' A' ' 22' ' ' LEU . 18.5 m-20 -86.74 -48.21 8.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -73.67 -5.64 41.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.441 ' CB ' HD22 ' A' ' 12' ' ' LEU . 10.3 m-80 -106.25 -38.26 6.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.3 t -96.68 -65.16 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.672 HD12 ' HB3' ' A' ' 18' ' ' ASP . 54.8 mt -53.93 -39.95 66.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.75 7.33 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -132.83 127.81 35.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -84.11 16.68 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -103.05 158.08 16.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.51 ' HB ' HG13 ' A' ' 62' ' ' VAL . 47.2 t -70.96 122.89 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.514 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 30.7 m95 -114.11 116.43 29.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.466 ' SD ' ' CG2' ' A' ' 87' ' ' ILE . 0.7 OUTLIER -91.22 111.0 22.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.826 HG21 ' HE2' ' A' ' 17' ' ' PHE . 41.3 t -102.34 113.58 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 11.2 tm-20 -107.96 96.43 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CB ' HG21 ' A' ' 81' ' ' ILE . 73.1 m-85 -66.04 114.4 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.3 p90 -122.15 166.45 14.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.22 137.02 27.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HD2' HG21 ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.74 -15.83 37.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -112.28 13.67 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.632 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 11.3 t -110.26 123.25 49.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -60.27 -52.69 51.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' GLY . 78.7 m-70 -35.97 -46.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.758 0.313 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -63.06 -57.6 10.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -41.08 -37.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.407 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 9.2 t30 -78.89 -31.41 45.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 40' ' ' CYS . 26.3 tp -79.1 -18.1 53.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.6 tp10 -39.37 -58.4 1.94 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.686 0.755 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.8 -45.37 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.237 . . . . 0.0 112.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HB2' HD12 ' A' ' 43' ' ' LEU . 2.0 mp0 -54.88 -27.88 46.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.434 ' CZ3' HG12 ' A' ' 87' ' ' ILE . 59.7 t-105 -91.69 -35.41 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.54 77.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.066 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.51 -47.32 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.782 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -48.39 -47.55 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.61 -55.0 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 m -63.03 -40.29 97.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.49 ' HG2' HG21 ' A' ' 109' ' ' VAL . 3.8 tp10 -67.1 -28.61 68.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 50' ' ' ALA . 78.1 t -80.25 -39.61 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -74.04 -27.93 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -77.5 -31.37 53.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.421 ' CB ' HD21 ' A' ' 113' ' ' LEU . 80.2 mt-30 -90.58 -40.34 12.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 54' ' ' VAL . 21.7 p -84.31 20.83 1.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt 50.33 26.45 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.76 28.16 47.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' HE2' ' C ' ' A' ' 119' ' ' ASN . 48.1 tptt -88.85 -61.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.51 HG13 ' HB ' ' A' ' 27' ' ' VAL . 6.7 t -82.53 109.87 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 26.4 mttt -91.5 155.56 18.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -125.13 118.95 27.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . . . -126.71 172.05 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.77 161.83 30.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.409 HG13 ' CG ' ' A' ' 72' ' ' ASN . 92.6 t -147.83 122.64 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.492 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 46.6 p-10 -74.39 97.63 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.71 -14.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.461 HG21 ' HD2' ' A' ' 35' ' ' PRO . 75.1 p -75.59 -27.63 58.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.492 ' CG2' ' OD2' ' A' ' 68' ' ' ASP . 42.8 t -110.19 -37.64 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.409 ' CG ' HG13 ' A' ' 67' ' ' VAL . 3.9 m-80 -82.02 107.77 14.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -110.13 -35.04 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.34 -36.27 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mt -91.73 -50.31 5.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.25 -40.66 17.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 t -77.13 -38.21 52.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 58.3 ttt180 -53.52 -49.65 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 17.4 m-85 -99.2 -19.83 16.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 79.98 80.39 0.81 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.79 HG22 ' CE1' ' A' ' 84' ' ' PHE . 20.4 mm -111.16 106.02 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.0 -16.69 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.22 94.08 0.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.79 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -95.31 153.91 39.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.702 0.763 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.5 Cg_endo -69.8 160.95 87.29 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.33 0.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -141.65 106.15 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CG2' ' SD ' ' A' ' 29' ' ' MET . 17.0 mt -96.92 123.4 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -130.58 139.2 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 3.9 mp -98.6 144.59 11.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -128.47 106.16 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -110.24 109.29 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -46.39 122.07 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.25 -41.93 1.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -140.54 174.22 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -61.81 152.6 75.47 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.708 0.766 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.37 31.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 11.9 m -118.78 166.74 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -101.99 116.03 31.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.829 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' ARG . 19.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.793 0.33 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.782 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 21.4 ptt180 -37.9 -36.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.9 m -59.37 -54.42 46.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.43 -52.18 12.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 38.0 mt -48.07 -36.29 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.668 HG22 HG23 ' A' ' 54' ' ' VAL . 37.3 t -79.07 -45.74 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.2 t -49.69 -44.46 48.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -64.95 -51.8 59.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.06 -38.06 16.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.421 HD21 ' CB ' ' A' ' 57' ' ' GLN . 16.2 mt -70.55 -44.56 67.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.67 -29.57 27.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mt -94.6 -39.97 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.555 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 11.6 t80 -51.26 -50.52 59.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' PHE . 4.2 t -37.84 -38.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' ASN . 5.8 t0 -98.31 -61.41 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 118' ' ' ASP . 8.1 m120 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 p -88.85 133.97 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.41 139.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -98.47 124.5 43.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 16' ' ' SER . 30.1 mt -117.99 164.29 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 26.3 p -129.82 178.51 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -53.74 -29.99 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -103.75 -30.93 10.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.535 ' O ' HD22 ' A' ' 12' ' ' LEU . 26.3 m -92.35 16.91 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.833 ' CE2' HG21 ' A' ' 30' ' ' VAL . 1.2 t80 -97.8 -47.94 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.33 -52.66 7.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -57.32 -15.08 5.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -102.57 -22.33 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.73 HG22 ' CG ' ' A' ' 28' ' ' TRP . 24.4 t -102.85 -63.29 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.404 HD23 HG12 ' A' ' 21' ' ' VAL . 6.4 mt -55.92 -29.42 60.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.7 9.12 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.0 t -131.96 146.47 52.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -97.3 26.5 4.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -118.72 158.06 26.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.03 124.2 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.73 ' CG ' HG22 ' A' ' 21' ' ' VAL . 50.0 m95 -114.16 111.61 21.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.0 mtp -87.96 100.84 13.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.833 HG21 ' CE2' ' A' ' 17' ' ' PHE . 39.3 t -90.8 119.3 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -119.6 117.5 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -92.5 133.91 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -140.73 172.79 12.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -122.58 133.19 24.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.582 0.706 . . . . 0.0 111.072 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.516 ' HD2' HG21 ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.76 -3.42 11.98 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -124.13 1.49 8.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.573 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 41.9 t -94.1 111.53 23.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.82 -59.26 9.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -44.76 -33.76 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.9 m -75.71 -44.85 40.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -51.71 -35.83 44.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -70.26 -24.69 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 46' ' ' GLU . 12.5 tp -89.14 -27.14 20.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.536 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.2 tt0 -36.86 -58.29 1.1 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.8 Cg_endo -69.77 -29.94 23.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.327 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.519 ' HB2' HD12 ' A' ' 43' ' ' LEU . 31.3 mm-40 -67.96 -33.01 73.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -79.21 -40.84 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.28 78.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.09 89.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.633 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -53.1 -43.15 66.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.69 -47.93 66.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -67.49 -40.1 85.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.925 ' HG2' HG11 ' A' ' 109' ' ' VAL . 14.2 tt0 -72.62 -14.34 61.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.82 HG23 HG22 ' A' ' 109' ' ' VAL . 37.3 t -92.42 -41.53 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -72.86 -20.39 61.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -81.68 -28.57 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.724 ' HB3' HD21 ' A' ' 113' ' ' LEU . 83.7 mt-30 -96.27 -36.55 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.573 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 49.5 p -85.73 20.39 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt 51.3 27.05 3.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.49 22.95 66.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -85.62 -64.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.53 109.11 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -95.29 137.67 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -106.42 123.57 48.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.97 158.44 35.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.424 ' CB ' ' OE1' ' A' ' 31' ' ' GLU . . . -121.05 154.38 36.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.97 148.69 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -101.19 99.78 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.692 ' CB ' ' CE1' ' A' ' 84' ' ' PHE . . . -58.0 -14.57 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.516 HG21 ' HD2' ' A' ' 35' ' ' PRO . 77.7 p -71.42 -27.04 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -113.34 -35.3 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -76.48 106.44 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -106.5 -30.45 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.99 -38.23 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.58 -56.81 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.12 -43.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -78.89 -39.84 33.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -46.72 -51.83 15.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -100.92 -21.02 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.86 58.51 2.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.707 HD12 HG21 ' A' ' 86' ' ' THR . 21.4 mm -59.4 -73.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 38.91 26.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.64 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -159.46 88.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -102.15 155.52 36.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 -179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.4 Cg_endo -69.7 165.86 75.37 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.413 -0.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.707 HG21 HD12 ' A' ' 81' ' ' ILE . 86.9 m -142.21 142.37 32.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.5 mt -133.96 122.78 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -131.67 148.45 52.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.479 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -114.29 138.06 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 38.1 m-85 -130.05 122.79 29.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 94' ' ' GLU . 27.3 mp0 -114.55 157.54 22.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.04 107.49 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.76 -46.22 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 91' ' ' GLN . 10.4 pt-20 -100.92 171.53 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.1 p -83.59 152.75 64.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.587 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.79 148.98 66.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.479 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 3.6 m -108.4 173.65 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 1.6 m-20 -113.52 103.51 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.1 t80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.848 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 105' ' ' ARG . 81.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.752 0.311 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.633 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 19.5 ptt180 -36.68 -41.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -50.78 -59.06 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.96 -53.58 20.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.416 HD12 ' C ' ' A' ' 104' ' ' THR . 20.1 mt -42.15 -41.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.925 HG11 ' HG2' ' A' ' 53' ' ' GLU . 98.4 t -74.97 -48.16 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.7 t -49.23 -36.59 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -72.51 -53.09 13.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.31 -39.34 6.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.724 HD21 ' HB3' ' A' ' 57' ' ' GLN . 21.0 mt -61.01 -51.62 68.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.02 -44.79 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -78.98 -44.13 23.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 32.9 t80 -44.69 -40.36 5.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 91.9 p -70.72 -36.14 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.46 -53.99 50.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 24.7 t70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.71 121.53 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.637 ' O ' ' HB1' ' A' ' 65' ' ' ALA . 49.2 mt -94.84 135.41 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.38 138.6 31.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.9 mt -122.18 160.43 25.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.547 HG22 ' H ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -119.8 171.52 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.547 ' H ' HG22 ' A' ' 13' ' ' THR . 2.7 p30 -58.43 -17.2 18.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -117.47 -40.94 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -66.75 -22.59 66.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -52.83 -39.38 62.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.428 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.96 -38.61 19.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -67.47 -17.72 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.445 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 6.4 m120 -106.03 -25.86 11.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 17' ' ' PHE . 98.2 t -98.11 -65.44 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 18' ' ' ASP . 41.5 mt -60.57 -53.68 54.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -53.86 -15.21 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 t -112.1 133.07 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -85.62 27.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.12 158.03 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 62' ' ' VAL . 91.4 t -72.56 127.48 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 38.9 m95 -116.51 113.55 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.4 mtp -88.28 99.81 12.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.8 t -92.55 121.61 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.556 ' OE1' ' CD2' ' A' ' 47' ' ' TRP . 41.8 tt0 -121.86 100.16 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -73.03 129.72 38.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -135.94 176.36 8.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.4 132.3 24.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.707 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -7.72 21.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.47 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.4 p-90 -121.68 21.54 10.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 8.4 t -119.48 127.51 53.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -60.92 -55.6 28.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' GLY . 6.5 t-80 -35.23 -39.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -75.86 -54.28 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -43.3 -43.54 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.491 ' ND2' ' C ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -73.14 -25.67 60.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.469 HD21 ' CD ' ' A' ' 31' ' ' GLU . 4.6 tp -88.01 -19.08 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.532 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tp10 -39.41 -57.93 2.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.0 Cg_endo -69.79 -40.51 5.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.485 ' OE1' ' CA ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -58.08 -31.21 66.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.556 ' CD2' ' OE1' ' A' ' 31' ' ' GLU . 71.8 t-105 -82.67 -37.02 25.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.4 -56.52 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.97 64.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.875 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -52.14 -43.3 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.27 -46.95 72.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -71.16 -40.49 71.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HG3' HG11 ' A' ' 109' ' ' VAL . 10.9 tp10 -68.46 -26.7 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.874 HG23 HG22 ' A' ' 109' ' ' VAL . 55.8 t -83.45 -38.56 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -74.74 -21.57 59.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -86.23 -25.53 25.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.616 ' HB3' HD21 ' A' ' 113' ' ' LEU . 84.2 mt-30 -94.65 -43.21 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.557 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 31.0 p -83.61 22.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 50.66 29.75 4.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.63 23.42 72.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -81.82 -61.11 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.47 HG13 ' CG1' ' A' ' 27' ' ' VAL . 21.3 t -83.38 105.69 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -88.05 155.54 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mp -122.55 121.91 37.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.637 ' HB1' ' O ' ' A' ' 10' ' ' ILE . . . -128.88 166.91 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.31 166.44 18.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.0 t -150.92 138.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.64 101.99 14.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.78 -10.12 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.47 HG21 ' NE1' ' A' ' 36' ' ' TRP . 61.9 p -85.12 -13.82 49.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.35 -29.78 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.32 105.64 17.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -106.95 -32.5 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.36 -39.22 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 17' ' ' PHE . 41.4 mt -86.07 -58.14 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -43.66 -38.47 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.1 t -74.28 -29.96 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' LEU . 50.5 ttt-85 -64.88 -46.88 79.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -96.48 -22.6 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 85.55 50.16 4.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.059 HD12 HG21 ' A' ' 86' ' ' THR . 28.7 mm -80.92 112.08 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -128.98 -29.32 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.39 107.22 2.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.551 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -100.94 154.74 36.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.3 Cg_endo -69.82 165.94 75.51 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.347 0.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 1.059 HG21 HD12 ' A' ' 81' ' ' ILE . 93.4 m -142.01 105.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.194 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.45 HD11 ' OE2' ' A' ' 31' ' ' GLU . 22.1 mt -97.86 123.5 50.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -130.08 138.65 50.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.673 ' HB ' HG23 ' A' ' 97' ' ' VAL . 4.2 mp -106.06 140.8 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 87.1 m-85 -128.48 112.24 14.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.541 ' OE1' HD22 ' A' ' 115' ' ' LEU . 29.3 mt-30 -112.98 73.01 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 91' ' ' GLN . 4.3 ttmt -34.3 112.67 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.57 -33.92 1.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -128.26 -76.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 t -175.63 142.82 0.67 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.705 0.764 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.583 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.79 162.03 43.66 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.624 2.216 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.673 HG23 ' HB ' ' A' ' 89' ' ' ILE . 2.3 m -137.83 178.31 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -125.5 119.6 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.454 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 54.6 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 106' ' ' SER . 35.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.727 0.299 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.875 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.4 ptt85 -34.04 -35.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 104' ' ' THR . 62.9 m -57.22 -58.79 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.28 -53.95 17.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 35.7 mt -45.38 -46.29 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.874 HG22 HG23 ' A' ' 54' ' ' VAL . 56.0 t -71.66 -47.48 57.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.0 t -50.03 -37.88 35.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -73.52 -56.12 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.91 -37.72 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 57' ' ' GLN . 20.0 mt -58.85 -41.08 86.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -56.43 -40.61 75.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.541 HD22 ' OE1' ' A' ' 91' ' ' GLN . 11.8 mt -73.32 -43.44 60.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 51.5 t80 -51.93 -39.2 58.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 m -89.56 24.93 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -130.8 -32.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.32 134.75 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.3 mt -102.97 141.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -98.93 121.49 40.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -118.3 170.79 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 32.9 p -128.87 -177.05 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -25.02 67.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 7.0 t70 -105.18 -49.1 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -62.7 -23.82 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.862 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -56.6 -29.97 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.693 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -93.17 -42.99 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -12.63 38.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -103.07 -42.48 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.866 HG22 ' CB ' ' A' ' 28' ' ' TRP . 73.9 t -85.69 -64.66 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.693 HD12 ' HB2' ' A' ' 18' ' ' ASP . 51.5 mt -53.99 -44.2 70.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -74.95 4.8 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.3 t -128.87 114.88 17.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.82 -14.71 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -76.18 153.8 35.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.6 135.61 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.866 ' CB ' HG22 ' A' ' 21' ' ' VAL . 37.6 m95 -122.82 114.66 20.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.3 mtp -90.16 106.41 18.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.862 HG21 ' CE2' ' A' ' 17' ' ' PHE . 92.7 t -90.71 131.85 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.21 104.09 7.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CG ' HG21 ' A' ' 81' ' ' ILE . 26.8 m-85 -78.99 126.9 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -139.3 167.7 21.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.489 ' HB1' ' CE2' ' A' ' 36' ' ' TRP . . . -122.47 135.75 25.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -3.06 11.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.489 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.1 p-90 -120.09 -3.62 10.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 t -89.82 111.36 22.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.19 -54.49 31.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -45.69 -39.85 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.5 m -72.8 -40.81 65.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -52.29 -36.82 53.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -73.53 -24.95 60.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 46' ' ' GLU . 7.1 tp -83.89 -25.43 30.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.7 tt0 -36.54 -58.52 1.0 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.842 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.4 Cg_endo -69.75 -34.1 15.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.308 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' HD12 ' A' ' 43' ' ' LEU . 89.6 mt-10 -64.81 -30.9 71.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.5 ' CE3' HD13 ' A' ' 108' ' ' ILE . 65.3 t-105 -84.25 -33.15 24.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.08 -57.43 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.83 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.816 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -42.84 -47.95 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.51 -42.54 74.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -72.43 -38.3 68.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.926 ' HG2' HG11 ' A' ' 109' ' ' VAL . 10.4 tt0 -75.1 -12.26 60.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.024 HG23 HG22 ' A' ' 109' ' ' VAL . 19.8 t -93.56 -43.85 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -71.17 -26.31 62.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CD ' ' HA ' ' A' ' 53' ' ' GLU . 19.5 pt-20 -77.4 -25.49 50.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -96.52 -37.05 10.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.483 HG21 ' HB ' ' A' ' 62' ' ' VAL . 55.4 p -86.49 1.49 51.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 62.39 37.72 13.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.8 -13.44 36.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.59 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -50.86 -68.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.483 ' HB ' HG21 ' A' ' 58' ' ' THR . 53.8 t -84.35 121.86 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.419 ' C ' HD12 ' A' ' 64' ' ' LEU . 23.2 mtpp -109.19 159.82 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 63' ' ' LYS . 9.6 mp -126.48 127.31 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.15 165.83 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.9 151.52 50.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 68' ' ' ASP . 59.1 t -134.7 153.55 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' N ' HG12 ' A' ' 67' ' ' VAL . 45.0 m-20 -106.37 97.23 7.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.03 -16.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.8 p -72.74 -32.37 65.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -105.91 -29.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.93 110.56 20.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -110.51 -31.25 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -59.67 -39.46 79.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.1 mt -85.07 -56.07 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.43 -26.7 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 t -89.75 -33.97 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.453 ' HD3' ' CE1' ' A' ' 79' ' ' TYR . 18.6 ttt85 -63.64 -42.5 98.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 22.3 m-85 -105.32 -19.62 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.27 45.29 6.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.628 HG22 ' HE1' ' A' ' 84' ' ' PHE . 24.7 mm -75.48 100.62 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -126.89 -27.35 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.91 95.11 1.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.628 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -97.39 153.95 38.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.646 0.736 . . . . 0.0 110.891 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.9 Cg_endo -69.77 154.14 93.22 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.345 0.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -133.5 119.47 19.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.9 mt -113.0 126.85 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.435 ' C ' HD12 ' A' ' 89' ' ' ILE . 24.0 mmtm -134.47 141.78 46.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.693 ' N ' HD12 ' A' ' 89' ' ' ILE . 1.9 mp -105.38 139.27 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 28.6 m-85 -129.16 129.62 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.505 ' OE1' HG22 ' A' ' 89' ' ' ILE . 9.8 mp0 -131.44 133.21 44.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -61.23 143.82 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.88 -41.72 2.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -116.57 162.77 17.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.1 p -74.88 153.15 86.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.526 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.5 Cg_endo -69.76 162.83 40.58 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.458 HG23 ' HB ' ' A' ' 89' ' ' ILE . 1.4 m -127.37 -176.4 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -113.55 117.82 32.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.812 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 105' ' ' ARG . 36.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.836 0.351 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.816 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 21.3 ptt180 -36.73 -36.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.4 p -62.63 -51.62 66.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.79 -52.82 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.5 HD13 ' CE3' ' A' ' 47' ' ' TRP . 43.5 mt -46.19 -48.5 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.024 HG22 HG23 ' A' ' 54' ' ' VAL . 75.8 t -70.76 -45.65 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 t -51.26 -31.0 19.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.664 HH12 HD21 ' A' ' 115' ' ' LEU . 21.6 tpt85 -78.85 -55.18 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.434 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -41.44 -34.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.37 -38.81 78.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' ARG . 30.3 t0 -51.88 -28.2 15.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.664 HD21 HH12 ' A' ' 111' ' ' ARG . 8.7 mt -95.9 -41.48 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' 58' ' ' THR . 20.2 t80 -56.21 -32.44 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.3 m -68.6 -11.93 60.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -99.2 -44.1 6.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.7 m120 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.42 127.4 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.5 mt -104.26 138.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -99.07 133.6 43.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -123.12 176.97 5.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.9 p -131.17 -175.62 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.88 -17.65 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -108.74 -49.97 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -61.78 -38.3 87.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -38.51 -39.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.441 ' OD1' ' CE ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -91.43 -35.52 14.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' CE ' ' OD1' ' A' ' 18' ' ' ASP . 9.3 mmpt? -67.65 -14.43 62.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -105.95 -34.88 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.723 HG22 ' CB ' ' A' ' 28' ' ' TRP . 43.1 t -87.48 -55.1 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.37 -38.24 87.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -76.21 3.2 11.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t -130.18 115.33 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -61.62 -18.17 58.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -72.35 157.51 37.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.96 138.99 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.723 ' CB ' HG22 ' A' ' 21' ' ' VAL . 24.7 m95 -126.65 114.09 17.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.5 mtp -91.14 102.35 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -92.22 131.38 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.5 tm-20 -125.59 91.31 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.863 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 52.3 m-85 -59.74 124.01 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 6.9 p90 -134.8 173.83 11.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.708 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -122.98 135.38 25.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 111.124 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.403 ' HD2' HG21 ' A' ' 70' ' ' THR . 54.5 Cg_endo -69.7 -6.1 17.75 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -125.26 1.93 7.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.708 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 51.6 t -91.66 122.08 33.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -56.03 -58.64 13.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.2 m170 -35.53 -46.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.329 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -62.76 -54.22 42.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -43.79 -37.39 2.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -75.99 -30.11 58.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' CYS . 21.9 tp -81.31 -23.1 38.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.1 tp10 -35.65 -59.62 0.71 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.665 0.745 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.76 -45.18 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' CA ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.0 -28.66 53.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -89.74 -38.5 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.18 81.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.83 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -42.72 -55.13 3.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.89 -50.91 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -37.43 84.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.791 ' HG2' HG11 ' A' ' 109' ' ' VAL . 6.3 tt0 -76.96 -14.03 59.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 50' ' ' ALA . 69.3 t -93.99 -43.91 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -70.65 -17.46 62.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -86.13 -31.75 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.685 ' HB3' HD21 ' A' ' 113' ' ' LEU . 81.7 mt-30 -90.94 -38.87 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.576 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 66.3 p -81.93 15.89 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 56.8 25.49 10.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.67 18.71 67.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 26' ' ' ASP . 16.8 tptm -83.33 -66.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.406 ' HB ' HG21 ' A' ' 58' ' ' THR . 44.8 t -73.28 118.1 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -103.02 157.08 17.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 mp -125.76 120.27 30.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.48 175.16 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.44 163.48 30.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.9 t -155.74 148.13 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.488 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -85.38 98.67 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 32' ' ' PHE . . . -60.43 -19.11 55.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 70' ' ' THR . 0.3 OUTLIER -86.13 -18.55 32.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 68' ' ' ASP . 64.6 t -106.37 -25.64 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.488 ' ND2' ' OD1' ' A' ' 68' ' ' ASP . 6.3 m-80 -94.78 111.75 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -103.29 -24.93 13.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.9 t -66.69 -35.97 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 17' ' ' PHE . 11.0 mt -92.19 -50.96 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.404 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -52.58 -29.56 26.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 t -84.39 -24.83 29.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -75.72 -35.85 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -111.0 -16.97 13.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.404 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 77.8 77.05 0.85 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.452 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.533 HG22 ' CE1' ' A' ' 84' ' ' PHE . 10.2 mm -106.69 115.97 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 111.084 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -127.68 -26.15 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.22 119.43 5.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.605 ' HD2' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -114.33 155.98 45.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.1 Cg_endo -69.74 166.71 73.3 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.394 -0.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -141.8 106.04 4.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.1 mt -94.15 123.76 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -135.76 133.69 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.557 ' HB ' HG23 ' A' ' 97' ' ' VAL . 2.9 mp -89.61 149.05 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -138.07 131.71 31.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -125.03 143.58 50.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -67.54 105.48 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.7 -47.5 1.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.89 167.39 21.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 p -83.84 142.24 41.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.683 0.754 . . . . 0.0 110.832 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 150.84 69.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.557 HG23 ' HB ' ' A' ' 89' ' ' ILE . 2.7 m -129.52 178.88 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.94 132.21 56.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.7 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.815 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 109' ' ' VAL . 22.4 ptt180 -40.26 -40.61 1.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 m -53.83 -47.0 71.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -82.0 -51.15 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.2 mt -46.73 -41.22 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.791 HG11 ' HG2' ' A' ' 53' ' ' GLU . 87.3 t -70.95 -48.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.3 t -44.23 -48.17 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -63.25 -56.85 13.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.08 -37.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.685 HD21 ' HB3' ' A' ' 57' ' ' GLN . 43.4 mt -70.0 -40.75 75.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.49 -37.12 62.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.9 mt -88.02 -37.12 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.576 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 20.1 t80 -47.65 -60.79 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 t -46.73 -42.03 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.08 -44.85 95.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.04 105.32 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.1 mt -80.78 136.05 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -101.74 128.05 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.7 mt -111.93 172.04 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 14' ' ' ASP . 4.3 m -133.17 164.42 27.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.461 ' N ' HG22 ' A' ' 13' ' ' THR . 14.4 m-20 -46.74 -37.46 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -100.32 -15.71 17.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 61.2 m -105.23 16.6 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -98.87 -29.83 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.893 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.401 ' HB3' HD12 ' A' ' 22' ' ' LEU . 63.9 m-20 -88.74 -52.79 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -64.2 -10.93 26.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -101.28 -28.11 12.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.533 HG22 ' CB ' ' A' ' 28' ' ' TRP . 50.1 t -101.56 -61.5 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.424 ' O ' ' CE ' ' A' ' 92' ' ' LYS . 16.8 mt -55.27 -55.32 32.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.3 -12.8 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.414 ' CB ' ' HE1' ' A' ' 28' ' ' TRP . 32.9 t -103.89 101.13 10.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -49.8 -23.44 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.19 157.83 36.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.67 145.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CB ' HG22 ' A' ' 21' ' ' VAL . 43.5 m95 -131.29 111.69 12.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mtp -87.49 101.0 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' A' ' 17' ' ' PHE . 40.6 t -85.22 130.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 5.2 tp10 -127.16 96.78 4.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -70.02 128.64 37.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.566 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 2.3 p90 -139.82 165.38 27.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . . . -122.99 137.52 28.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.547 0.689 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -18.71 37.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.395 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.558 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.2 p-90 -105.08 9.81 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.7 t -109.7 128.26 55.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.27 -53.23 43.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -40.24 -33.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -73.57 -58.52 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -46.17 -41.7 12.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -73.21 -29.48 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' HB2' ' A' ' 46' ' ' GLU . 12.3 tp -80.69 -22.42 40.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.612 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -37.91 -54.11 2.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.915 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.0 Cg_endo -69.79 -46.58 1.16 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' HB2' HD12 ' A' ' 43' ' ' LEU . 2.6 mp0 -55.92 -28.1 55.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 58.8 t-105 -92.5 -37.96 12.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.96 -53.29 59.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.43 -49.3 76.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.696 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -51.25 -45.41 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.58 70.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -81.02 -31.43 34.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' HG3' HG11 ' A' ' 109' ' ' VAL . 11.4 tp10 -76.98 -20.8 55.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 HG22 ' A' ' 109' ' ' VAL . 55.1 t -84.98 -39.76 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -75.75 -20.47 58.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.8 -30.4 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.413 ' CB ' HD21 ' A' ' 113' ' ' LEU . 69.5 mt-30 -94.65 -40.09 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.571 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 34.6 p -82.56 18.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm 53.37 27.49 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.71 17.87 71.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -77.17 -65.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.9 t -76.41 110.55 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -97.57 141.83 30.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.19 128.2 54.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.2 160.49 32.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.57 154.46 46.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.46 HG13 ' ND2' ' A' ' 72' ' ' ASN . 60.9 t -142.86 141.65 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -89.83 105.78 18.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.08 -13.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.558 HG21 ' NE1' ' A' ' 36' ' ' TRP . 31.9 p -83.05 -23.29 33.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.81 -35.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.549 ' OD1' HD12 ' A' ' 75' ' ' LEU . 3.8 m-80 -87.89 110.81 20.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -106.87 -39.73 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.4 t -55.08 -39.41 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.549 HD12 ' OD1' ' A' ' 72' ' ' ASN . 5.6 mt -87.27 -52.09 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -49.5 -39.23 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 t -78.27 -37.92 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -52.32 -51.81 56.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -100.96 -16.5 17.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 80.18 86.87 0.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.949 HG22 ' CE1' ' A' ' 84' ' ' PHE . 50.4 mm -105.02 115.59 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -134.38 -34.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.41 101.66 2.08 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.949 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -104.08 155.83 36.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.737 . . . . 0.0 110.894 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.71 162.99 82.86 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.362 -0.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.481 HG21 HD12 ' A' ' 81' ' ' ILE . 3.6 m -140.05 108.84 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.401 ' CG1' ' OE2' ' A' ' 31' ' ' GLU . 18.5 mt -95.81 124.27 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -134.18 126.31 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.461 ' HB ' HG23 ' A' ' 97' ' ' VAL . 2.7 mp -88.63 147.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 94.4 m-85 -138.03 127.94 25.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -124.62 131.09 53.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.424 ' CE ' ' O ' ' A' ' 22' ' ' LEU . 21.0 tttm -50.08 124.63 10.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.54 -41.83 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -76.04 163.53 27.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.5 t -85.02 139.49 36.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.0 Cg_endo -69.75 153.6 68.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.461 HG23 ' HB ' ' A' ' 89' ' ' ILE . 3.6 m -129.83 171.35 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -112.63 116.87 30.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.422 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 89.1 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.442 ' C ' HD12 ' A' ' 108' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.796 0.331 . . . . 0.0 111.164 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.696 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 20.4 ptt180 -46.49 -36.34 6.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -54.75 -53.16 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -75.7 -52.16 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 104' ' ' THR . 21.2 mt -46.51 -42.21 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 54' ' ' VAL . 44.9 t -72.21 -47.7 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.3 t -45.3 -44.2 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 114' ' ' ASP . 0.0 OUTLIER -71.57 -53.05 15.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.05 -30.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 57' ' ' GLN . 85.8 mt -77.8 -38.74 45.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' ARG . 2.9 m-20 -57.27 -30.8 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -93.93 -35.99 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 7.0 t80 -48.3 -57.61 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' ASP . 24.9 t -52.21 -56.05 17.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' SER . 15.2 m-20 -35.76 -55.84 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.868 0.365 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.2 t -57.71 125.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.3 mt -96.06 149.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -102.82 134.56 46.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.0 mt -118.69 163.79 16.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.538 HG22 ' H ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -122.88 171.16 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.538 ' H ' HG22 ' A' ' 13' ' ' THR . 0.5 OUTLIER -53.85 -31.8 50.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.813 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.02 -45.03 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -59.1 -32.92 70.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 30' ' ' VAL . 1.4 t80 -44.07 -47.43 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.922 ' HB2' HD12 ' A' ' 22' ' ' LEU . 1.2 p30 -76.64 -48.23 19.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -62.34 -12.25 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -106.03 -25.49 12.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.629 HG22 ' CB ' ' A' ' 28' ' ' TRP . 38.3 t -104.57 -62.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.922 HD12 ' HB2' ' A' ' 18' ' ' ASP . 53.5 mt -56.11 -43.82 78.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -79.15 9.07 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -122.18 115.03 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -64.91 -14.79 60.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.4 158.0 23.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.4 t -73.39 142.4 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.629 ' CB ' HG22 ' A' ' 21' ' ' VAL . 47.8 m95 -129.97 116.44 18.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.6 mtp -93.27 99.36 11.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 17' ' ' PHE . 60.4 t -85.33 127.89 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.565 ' OE2' HD21 ' A' ' 43' ' ' LEU . 9.0 tt0 -127.06 107.84 10.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -83.79 126.4 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.482 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 3.7 p90 -135.96 169.07 18.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -123.12 133.41 24.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 0.0 111.094 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -9.85 27.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -117.42 13.76 14.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 53.7 t -112.14 129.56 56.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -56.8 -62.69 6.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.4 m170 -36.39 -41.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -62.64 -54.47 38.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -51.93 -31.24 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -80.64 -28.75 36.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' ' 46' ' ' GLU . 59.8 tp -83.59 -12.11 56.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 tt0 -52.8 -58.8 10.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.636 0.732 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.4 Cg_endo -69.76 -25.03 29.04 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.644 ' HB2' HD12 ' A' ' 43' ' ' LEU . 58.2 mm-40 -77.15 -31.3 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.521 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 56.7 t-105 -87.13 -42.5 12.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.46 -53.94 32.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.28 -52.71 52.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.833 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -42.17 -35.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.504 ' HA ' HD22 ' A' ' 64' ' ' LEU . . . -63.9 -44.72 92.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -69.37 -43.36 73.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.486 ' CG ' HG11 ' A' ' 109' ' ' VAL . 6.2 tp10 -65.91 -27.71 68.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 50' ' ' ALA . 84.6 t -87.4 -37.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 60' ' ' GLY . 8.3 tttm -68.71 -37.97 79.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -76.49 -35.34 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.463 ' HB3' HD21 ' A' ' 113' ' ' LEU . 71.4 mt-30 -77.4 -40.65 42.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 54' ' ' VAL . 19.6 p -88.2 6.04 38.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.15 26.32 16.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 92.07 -11.43 72.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -52.21 -67.57 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.341 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.43 ' HB ' HG21 ' A' ' 58' ' ' THR . 21.5 t -80.38 107.09 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.523 ' HE2' ' CH2' ' A' ' 28' ' ' TRP . 25.7 mtpt -95.58 150.81 19.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 51' ' ' ALA . 10.1 mp -116.41 132.26 56.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.89 163.56 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.2 153.99 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.0 t -136.92 136.77 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.02 101.59 14.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.94 -11.78 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.0 p -80.51 -16.44 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.0 t -119.94 -37.3 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -82.67 107.19 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -107.87 -33.81 7.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -53.24 -39.47 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 78' ' ' ARG . 17.4 mt -88.85 -55.35 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.73 -28.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -89.4 -35.09 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 75' ' ' LEU . 42.9 ttt85 -61.85 -45.05 95.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -99.1 -19.52 17.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.56 37.23 9.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.646 HD12 HG21 ' A' ' 86' ' ' THR . 25.2 mm -66.52 103.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -128.28 -29.88 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.43 99.33 1.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.554 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -96.74 153.92 38.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.876 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.79 166.57 73.78 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.344 -0.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.646 HG21 HD12 ' A' ' 81' ' ' ILE . 33.4 m -141.68 111.96 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.165 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.7 mt -102.76 124.19 56.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -135.19 136.01 41.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.51 HG21 HD13 ' A' ' 115' ' ' LEU . 4.9 mp -105.31 135.76 42.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 38.4 m-85 -124.4 129.76 51.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -120.34 141.9 49.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 22' ' ' LEU . 2.0 tppt? -71.82 118.76 15.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.56 -39.7 2.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -108.85 167.06 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.9 p -77.6 155.83 80.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.685 0.755 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.581 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.74 163.44 38.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.388 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 1.8 m -123.05 -179.17 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -122.64 106.39 10.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.5 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.841 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ARG . 72.6 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.335 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 109' ' ' VAL . 17.2 ptt85 -37.51 -36.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m -53.21 -59.02 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.35 -53.96 30.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.1 mt -46.99 -39.81 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.752 HG22 HG23 ' A' ' 54' ' ' VAL . 47.9 t -74.1 -47.23 42.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.5 t -45.3 -45.7 12.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 114' ' ' ASP . 13.2 tpp180 -65.25 -54.22 32.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.456 ' HB1' HG13 ' A' ' 54' ' ' VAL . . . -40.98 -37.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 57' ' ' GLN . 77.7 mt -75.04 -37.89 61.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 111' ' ' ARG . 2.0 m-20 -57.68 -27.4 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.51 HD13 HG21 ' A' ' 89' ' ' ILE . 9.8 mt -95.64 -43.71 7.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -48.49 -40.52 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.1 p -67.04 -38.5 85.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -43.01 89.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' CG ' ' HD3' ' A' ' 55' ' ' LYS . 29.5 t70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 41.3 t -57.07 122.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.402 ' CD1' ' HE3' ' A' ' 63' ' ' LYS . 28.6 mt -95.08 150.75 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -109.48 127.93 54.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 20' ' ' ASN . 53.7 mt -119.75 172.09 7.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 p -133.1 -177.0 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.71 -30.46 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -101.96 -45.84 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -61.55 -30.97 71.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -47.07 -39.82 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.57 -44.84 10.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -62.29 -18.33 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.561 ' HB2' HD22 ' A' ' 12' ' ' LEU . 10.0 m120 -104.04 -22.53 13.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' PHE . 94.2 t -101.76 -64.78 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.43 -33.2 69.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -71.77 -1.11 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t -133.87 131.54 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -77.56 4.13 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.97 157.89 18.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.25 127.32 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -115.83 111.0 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.1 mtp -86.36 108.9 18.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 17' ' ' PHE . 57.3 t -93.73 125.94 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' CG ' HD21 ' A' ' 43' ' ' LEU . 4.0 tp10 -124.35 99.49 6.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -74.88 130.16 38.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.515 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 4.9 p90 -135.61 169.39 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -123.12 132.74 24.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.536 0.684 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -13.44 34.65 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.421 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.5 p-90 -115.29 17.17 16.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 13.7 t -118.23 120.44 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -50.24 -55.17 16.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' GLY . 35.8 m170 -37.41 -46.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.515 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -58.43 -51.51 69.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -48.53 45.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -68.23 -14.0 62.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD21 ' CG ' ' A' ' 31' ' ' GLU . 11.3 tp -94.69 -20.93 19.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.4 tt0 -46.98 -59.16 5.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.652 0.739 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.5 Cg_endo -69.79 -29.11 24.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -70.22 -33.4 71.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.474 ' CZ3' HG21 ' A' ' 108' ' ' ILE . 44.5 t-105 -86.33 -42.71 13.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -52.54 -43.83 65.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.55 -50.93 18.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -45.58 -46.97 14.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.41 -48.12 65.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 m -67.73 -42.79 81.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.503 ' HG3' HG11 ' A' ' 109' ' ' VAL . 7.3 tp10 -69.01 -25.14 64.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.998 HG23 HG22 ' A' ' 109' ' ' VAL . 54.8 t -84.69 -43.88 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.153 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HD3' ' CG ' ' A' ' 8' ' ' ASP . 5.9 pttp -69.64 -24.12 63.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.6 -30.56 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -89.72 -39.4 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.841 HG22 ' HB2' ' A' ' 116' ' ' PHE . 65.8 p -82.44 19.0 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm 51.28 25.58 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.01 21.12 58.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -86.81 -68.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.611 ' HB ' HG21 ' A' ' 58' ' ' THR . 48.6 t -74.92 103.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.402 ' HE3' ' CD1' ' A' ' 10' ' ' ILE . 16.7 mtpp -92.62 151.55 20.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mp -117.57 128.23 54.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.93 170.41 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.44 156.74 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -143.12 139.46 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 99.54 12.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.468 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -55.08 -15.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.421 HG21 ' NE1' ' A' ' 36' ' ' TRP . 41.1 p -78.22 -25.03 46.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -107.99 -37.14 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.2 108.2 14.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -106.06 -37.05 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.61 -42.09 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 17' ' ' PHE . 50.9 mt -80.87 -57.93 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -41.52 -41.7 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -75.45 -44.27 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -46.66 -54.0 10.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -96.67 -21.26 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 80.23 77.19 0.97 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.679 HD12 HG21 ' A' ' 86' ' ' THR . 2.1 mm -102.21 105.11 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.102 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -126.79 24.42 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.05 90.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.538 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -93.38 154.99 41.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.673 0.749 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.79 162.92 83.21 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.337 0.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.679 HG21 HD12 ' A' ' 81' ' ' ILE . 37.2 m -139.04 105.11 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.4 mt -95.11 118.97 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -128.14 146.79 50.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.538 HG21 HD13 ' A' ' 115' ' ' LEU . 5.4 mp -113.84 137.28 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 81.5 m-85 -123.5 120.8 33.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.581 ' OE1' HD22 ' A' ' 115' ' ' LEU . 33.2 mt-30 -118.06 122.63 43.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -46.47 136.91 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.79 -44.63 3.39 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -96.31 161.0 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.366 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 m -79.78 159.67 70.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.579 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.75 156.56 63.07 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.4 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 1.1 m -121.67 176.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.86 106.43 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.476 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 68.0 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.782 0.325 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.529 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.7 ptt180 -43.1 -36.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 m -56.94 -44.95 83.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -81.38 -50.98 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.474 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 24.2 mt -48.36 -44.9 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.998 HG22 HG23 ' A' ' 54' ' ' VAL . 73.5 t -73.64 -45.94 49.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.8 t -51.86 -20.53 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -93.81 -54.69 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.2 -29.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.88 -43.93 91.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.74 -42.71 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.581 HD22 ' OE1' ' A' ' 91' ' ' GLN . 6.7 mt -75.96 -41.22 52.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.841 ' HB2' HG22 ' A' ' 58' ' ' THR . 16.1 t80 -37.89 -57.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.2 t -55.35 -55.4 32.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -39.69 -45.06 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.6 m120 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -92.57 106.4 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -171.06 155.69 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.64 -155.44 6.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -94.94 101.75 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.909 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -174.74 149.74 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.548 ' H ' ' HB1' ' A' ' 48' ' ' ALA . . . -63.84 -132.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 29.8 t70 -110.6 41.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t -77.73 121.16 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -98.98 128.92 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -91.56 121.56 33.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.3 mt -117.75 151.99 36.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.0 p -100.87 -175.53 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -79.63 -7.25 58.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -110.87 -53.8 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' LYS . 4.1 p -65.02 -33.03 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.694 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -40.88 -39.88 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -82.4 -28.89 31.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' SER . 10.9 mmtp -81.78 -8.56 59.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -105.46 -41.07 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.458 HG22 ' CG ' ' A' ' 28' ' ' TRP . 75.8 t -84.85 -65.33 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.85 -30.22 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -81.92 8.36 10.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.3 t -137.03 139.71 41.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -92.51 34.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -123.26 157.81 32.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -71.18 125.11 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.562 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 49.5 m95 -117.43 111.55 19.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.8 mtt -85.3 99.76 11.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.694 HG21 ' CE2' ' A' ' 17' ' ' PHE . 97.4 t -89.73 119.07 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -118.4 121.8 41.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CE1' HG12 ' A' ' 30' ' ' VAL . 26.8 m-85 -96.6 126.19 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -129.62 165.62 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.66 132.42 24.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.561 0.696 . . . . 0.0 111.138 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.12 9.63 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.744 2.296 . . . . 0.0 112.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -125.7 23.23 7.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.5 t -124.39 136.36 54.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' CYS . . . -75.71 -55.61 4.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -40.33 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 38' ' ' GLY . 62.3 m -88.99 -47.7 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -32.37 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -75.97 -23.42 55.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 46' ' ' GLU . 10.4 tp -90.29 -24.61 20.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.4 tp10 -35.13 -59.74 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.7 -38.33 8.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HB2' HD12 ' A' ' 43' ' ' LEU . 19.9 mm-40 -57.39 -37.27 72.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.434 ' CE2' HD23 ' A' ' 64' ' ' LEU . 57.9 t-105 -75.83 -43.53 45.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.548 ' HB1' ' H ' ' A' ' 7' ' ' GLY . . . -53.2 -55.77 21.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.93 67.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.579 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -48.62 -48.34 39.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.31 -46.07 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -69.36 -49.62 53.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.531 ' CG ' HG11 ' A' ' 109' ' ' VAL . 4.7 tp10 -60.85 -25.11 66.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.805 HG23 HG22 ' A' ' 109' ' ' VAL . 77.7 t -87.67 -43.71 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -64.31 -36.56 84.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -75.37 -34.33 61.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.656 ' HB3' HD21 ' A' ' 113' ' ' LEU . 73.1 mt-30 -79.6 -32.16 41.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.727 HG21 ' HB ' ' A' ' 62' ' ' VAL . 42.6 p -95.92 -0.1 51.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 27.83 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.41 -18.36 57.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.578 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 10.7 tppt? -50.35 -57.35 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.727 ' HB ' HG21 ' A' ' 58' ' ' THR . 36.7 t -95.68 102.64 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 3.3 mtpm? -95.35 156.72 16.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.434 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.4 mp -123.28 129.31 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.19 166.75 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.35 148.02 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.17 152.74 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -101.81 98.67 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.425 ' CB ' ' CE1' ' A' ' 84' ' ' PHE . . . -53.34 -16.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.2 p -76.08 -28.28 57.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.6 t -107.27 -28.21 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -92.19 111.32 22.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -108.19 -39.08 5.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.8 t -53.15 -49.39 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 17' ' ' PHE . 21.3 mt -75.6 -56.57 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -43.03 -41.96 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t -75.05 -40.74 60.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -45.09 -51.0 10.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -105.01 -22.25 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 88.38 79.89 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.846 HD12 HG21 ' A' ' 86' ' ' THR . 7.1 mm -104.92 103.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.112 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -124.21 -19.96 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.84 95.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.608 ' CE1' HG22 ' A' ' 81' ' ' ILE . 1.2 m-85 -96.07 154.02 38.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 0.0 110.875 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.8 155.68 93.25 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.343 0.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.846 HG21 HD12 ' A' ' 81' ' ' ILE . 6.4 m -134.09 102.17 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 48.8 mt -90.43 124.55 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -132.05 137.78 47.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.503 HD11 ' HB2' ' A' ' 99' ' ' TYR . 4.6 mp -106.69 144.71 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.14 126.36 35.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -122.3 112.38 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -50.09 113.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.77 -47.61 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -115.58 159.9 20.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.0 p -61.2 146.97 87.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.24 57.64 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.74 2.293 . . . . 0.0 112.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 16.3 m -114.19 163.27 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -107.99 113.91 27.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.503 ' HB2' HD11 ' A' ' 89' ' ' ILE . 24.0 t80 -79.71 122.91 27.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -140.02 107.24 5.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 170.6 -148.07 11.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -47.91 134.34 16.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -104.05 33.58 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' ARG . 64.8 p -121.73 135.06 54.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.579 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 18.5 ptt180 -34.47 -37.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' THR . 57.7 m -53.71 -50.05 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.7 m-20 -79.01 -51.21 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.1 mt -46.54 -44.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 54' ' ' VAL . 78.1 t -69.49 -46.79 75.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.5 t -46.38 -43.02 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -68.0 -56.95 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.65 -38.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 57' ' ' GLN . 80.8 mt -67.05 -46.29 74.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -51.32 -26.04 6.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 118' ' ' ASP . 38.9 mt -93.81 -45.84 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.598 ' CD1' ' HB3' ' A' ' 120' ' ' ALA . 38.8 t80 -34.47 -50.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.6 t -59.84 -45.51 92.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.7 OUTLIER -48.66 -57.33 6.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -83.83 -72.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.598 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . . . -64.11 139.91 97.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.591 0.71 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 148.99 66.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 168.1 22.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 85.9 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 125' ' ' LEU . 15.8 tt0 -171.11 117.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -34.12 142.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tt -169.86 134.62 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -47.46 151.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.7 p -84.49 -52.17 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 127.8 137.62 4.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 100.17 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.9 m 52.34 46.21 27.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.2 p 39.26 43.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 m -137.26 175.88 9.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.376 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 t -70.4 -54.81 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.89 138.75 6.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -106.69 -46.64 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -91.81 35.74 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 9' ' ' VAL . . . 60.98 -143.92 48.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.503 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -39.23 -29.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.586 HG23 ' HA ' ' A' ' 48' ' ' ALA . 55.5 t -68.98 132.25 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.521 ' O ' ' HB1' ' A' ' 65' ' ' ALA . 79.4 mt -102.78 132.77 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.41 125.55 38.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD22 ' O ' ' A' ' 16' ' ' SER . 15.5 mt -117.45 159.95 21.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 82.8 p -118.75 -175.68 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.34 -29.67 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -100.44 -30.83 11.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.454 ' O ' HD22 ' A' ' 12' ' ' LEU . 25.0 m -92.81 16.62 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.682 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -101.29 -25.44 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -92.55 -54.18 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -64.07 -6.53 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -104.29 -32.85 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.519 HG22 ' CB ' ' A' ' 28' ' ' TRP . 72.5 t -97.34 -63.43 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.43 -55.99 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.21 -13.41 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -107.82 137.99 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -86.16 -4.53 59.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.39 153.13 21.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -71.28 132.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.519 ' CB ' HG22 ' A' ' 21' ' ' VAL . 54.2 m95 -121.38 117.85 27.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.5 mtt -93.46 104.52 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.682 HG21 ' CE2' ' A' ' 17' ' ' PHE . 61.9 t -90.35 124.26 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -123.84 103.78 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -77.41 127.94 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 1.9 p90 -141.37 163.27 33.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -122.34 139.35 30.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.42 18.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.595 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.3 p-90 -114.37 0.52 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.644 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 3.1 t -93.2 118.53 31.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.86 -28.86 64.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -69.63 -20.85 63.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' LEU . 89.7 m -96.24 -41.44 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -47.0 -31.05 2.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -73.7 -31.1 63.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.7 tp -83.5 -21.22 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.2 tt0 -37.65 -58.67 1.26 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.593 0.711 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.72 -42.3 3.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' OE2' HG22 ' A' ' 104' ' ' THR . 22.1 mt-10 -55.36 -34.55 64.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -78.49 -41.18 33.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.586 ' HA ' HG23 ' A' ' 9' ' ' VAL . . . -55.05 -47.53 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.21 -51.76 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -44.16 -40.8 5.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.44 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -68.91 -29.5 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.656 ' HG3' HG11 ' A' ' 109' ' ' VAL . 11.9 tp10 -79.5 -23.15 43.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.461 HG23 HG22 ' A' ' 109' ' ' VAL . 48.9 t -88.08 -42.72 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.7 pttm -69.72 -16.61 63.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -90.75 -35.97 14.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.668 ' HB3' HD21 ' A' ' 113' ' ' LEU . 69.4 mt-30 -84.62 -37.66 20.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.564 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 25.8 p -88.74 21.61 2.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp 53.39 31.13 11.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 74.35 18.1 79.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.489 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.684 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 42.2 tptt -77.56 -60.57 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.8 t -82.04 112.54 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -97.32 148.3 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mp -114.07 122.96 48.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 10' ' ' ILE . . . -123.21 161.54 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.13 151.44 49.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.505 HG13 ' ND2' ' A' ' 72' ' ' ASN . 98.3 t -140.51 153.45 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' N ' HG12 ' A' ' 67' ' ' VAL . 10.9 t0 -106.45 106.96 17.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.463 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -53.32 -15.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.409 HG21 ' HE1' ' A' ' 36' ' ' TRP . 42.1 p -76.99 -28.7 55.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.93 -31.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.63 ' OD1' HD12 ' A' ' 75' ' ' LEU . 2.9 m-80 -89.46 109.9 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -108.64 -35.47 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.62 -41.65 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.63 HD12 ' OD1' ' A' ' 72' ' ' ASN . 16.8 mt -80.36 -51.18 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.33 -25.67 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 t -90.27 -32.23 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -62.46 -41.5 98.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -108.76 -22.28 12.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.84 49.19 3.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.813 HD12 HG21 ' A' ' 86' ' ' THR . 28.0 mm -74.24 103.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 111.148 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -126.52 -27.13 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.57 98.74 1.9 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.579 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -99.93 154.02 37.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.75 163.0 82.93 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.343 -0.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.813 HG21 HD12 ' A' ' 81' ' ' ILE . 92.1 m -138.14 105.66 5.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.8 mt -97.63 115.19 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -127.88 134.48 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 89' ' ' ILE . 4.4 mp -103.56 134.62 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 91.4 m-85 -122.73 122.18 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -105.76 156.61 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -71.63 117.47 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.35 -39.1 2.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.47 156.55 32.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -74.76 143.46 78.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 0.0 110.817 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.57 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.0 Cg_endo -69.72 153.81 68.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.43 HG23 ' HB ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -120.67 175.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.88 108.34 13.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.455 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 41.9 t80 -74.54 113.79 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -121.05 42.42 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -98.03 -154.02 29.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.57 170.24 46.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -113.73 49.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 106' ' ' SER . 60.5 p -137.96 131.82 31.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.808 ' O ' HG23 ' A' ' 109' ' ' VAL . 20.9 ptt180 -35.87 -33.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' THR . 26.1 m -56.71 -58.9 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.45 -56.15 16.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.4 mt -43.83 -42.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 105' ' ' ARG . 89.6 t -72.12 -46.31 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.5 t -49.6 -46.13 48.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.439 HH12 HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -66.52 -56.33 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.61 -35.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 57' ' ' GLN . 23.1 mt -64.59 -46.3 83.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -53.41 -45.0 69.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 89' ' ' ILE . 8.6 mt -73.87 -39.67 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.564 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 10.8 t80 -42.2 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -48.06 -56.66 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -44.13 -43.28 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -87.91 -74.77 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.684 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -56.04 154.55 14.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.556 0.693 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 110.85 2.66 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.712 2.274 . . . . 0.0 112.349 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.73 52.32 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.827 ' HG2' HD13 ' A' ' 125' ' ' LEU . 53.9 Cg_endo -69.74 171.32 14.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.228 . . . . 0.0 112.354 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.461 ' C ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -68.55 92.29 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.827 HD13 ' HG2' ' A' ' 123' ' ' PRO . 6.4 mp -136.23 166.43 23.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.25 84.34 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -161.47 147.08 13.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.1 t -65.15 158.2 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -97.66 -157.29 30.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 131' ' ' SER . 53.7 Cg_endo -69.75 -0.03 6.32 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 130' ' ' PRO . 5.7 t -38.21 -55.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 t 61.91 51.12 3.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.495 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -56.98 135.53 56.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 p -84.56 110.62 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.74 159.32 22.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.431 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -120.96 -52.4 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -91.95 -43.57 9.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.88 -146.25 4.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.441 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 22.9 t70 -93.01 8.85 38.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 2.4 t -61.62 114.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -92.12 151.51 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -113.76 129.25 56.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.405 HD22 ' HB2' ' A' ' 20' ' ' ASN . 13.1 mt -115.16 169.18 9.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 m -126.69 161.88 27.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -43.21 -44.9 5.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -95.12 -13.19 25.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -104.82 15.8 27.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.854 ' CE2' HG21 ' A' ' 30' ' ' VAL . 2.0 t80 -90.21 -35.5 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.469 ' HB3' HD12 ' A' ' 22' ' ' LEU . 16.6 m-20 -86.21 -50.83 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.22 -14.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.455 ' O ' ' NE1' ' A' ' 28' ' ' TRP . 7.9 m120 -105.7 -26.97 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.815 HG22 ' CB ' ' A' ' 28' ' ' TRP . 52.4 t -103.04 -63.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 18' ' ' ASP . 16.3 mt -59.48 -59.78 4.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -14.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -105.7 127.87 53.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -74.83 -4.12 35.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.95 156.23 19.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.529 ' CG2' ' CG ' ' A' ' 119' ' ' ASN . 54.2 t -76.02 130.91 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.815 ' CB ' HG22 ' A' ' 21' ' ' VAL . 42.7 m95 -119.47 120.2 36.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 mtp -94.79 105.18 17.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.854 HG21 ' CE2' ' A' ' 17' ' ' PHE . 99.3 t -90.76 129.82 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -126.52 100.76 6.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.585 ' CB ' HG21 ' A' ' 81' ' ' ILE . 58.3 m-85 -74.59 112.34 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 3.1 p90 -116.73 168.02 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB2' ' HD2' ' A' ' 84' ' ' PHE . . . -123.01 132.52 24.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 70' ' ' THR . 53.5 Cg_endo -69.74 -3.96 13.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 -126.08 10.11 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 44.2 t -103.28 141.98 34.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -73.23 -57.95 4.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.462 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . 51.3 m-70 -36.35 -40.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -66.16 -57.2 8.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -40.39 -37.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -84.11 -29.86 26.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' CYS . 43.0 tp -79.63 -16.78 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 tt0 -50.68 -58.62 9.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.76 -25.34 28.69 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -75.77 -30.63 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -82.71 -37.61 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -60.25 -47.18 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.77 -47.66 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -53.28 -36.47 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 8' ' ' ASP . . . -59.32 -46.81 87.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -72.63 -34.09 67.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.537 ' HG2' HG21 ' A' ' 109' ' ' VAL . 9.2 tp10 -74.65 -27.48 60.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.647 HG23 HG22 ' A' ' 109' ' ' VAL . 55.7 t -83.46 -36.84 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -74.36 -18.76 60.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -89.47 -29.31 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.701 ' HB3' HD21 ' A' ' 113' ' ' LEU . 84.1 mt-30 -91.97 -27.65 17.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 54' ' ' VAL . 17.3 p -102.9 8.93 39.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.18 34.58 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.73 -6.18 66.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.957 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 41.8 tptt -53.86 -63.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.418 HG13 ' CG1' ' A' ' 27' ' ' VAL . 11.7 t -83.19 110.52 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 32.1 mttp -93.71 157.62 16.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -129.01 121.8 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.61 171.76 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.09 155.77 47.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.0 t -140.84 130.78 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.653 ' HB2' HG12 ' A' ' 71' ' ' VAL . 1.3 m-20 -80.0 104.5 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -60.96 -9.51 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 35.8 p -84.15 -25.26 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.143 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.653 HG12 ' HB2' ' A' ' 68' ' ' ASP . 8.5 p -112.64 -21.49 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.453 HD22 HG13 ' A' ' 71' ' ' VAL . 3.1 m-80 -96.9 112.78 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -114.65 -35.47 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.49 -38.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.515 HD13 ' CD2' ' A' ' 17' ' ' PHE . 13.2 mt -90.25 -52.41 4.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.23 -40.7 34.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.5 t -76.37 -20.86 56.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 47.0 ttt-85 -69.79 -44.4 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 10.7 m-85 -103.56 -19.06 14.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.9 38.17 7.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.848 HG22 ' HE1' ' A' ' 84' ' ' PHE . 37.3 mm -66.68 102.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -123.66 -31.21 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.11 101.4 2.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.848 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -98.69 153.97 37.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.909 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.76 164.16 79.97 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.381 0.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.589 HG21 HD12 ' A' ' 81' ' ' ILE . 3.6 m -141.52 105.25 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.7 mt -95.19 122.92 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -130.87 136.55 48.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.596 HG21 HD13 ' A' ' 115' ' ' LEU . 4.1 mp -105.4 137.39 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 79.0 m-85 -127.09 128.34 46.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -125.86 129.46 49.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.461 ' CE ' ' O ' ' A' ' 22' ' ' LEU . 17.4 tptp -56.7 127.07 29.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.48 -48.54 1.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.442 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -92.29 156.95 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 64.1 p -74.04 148.61 86.87 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.589 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.1 Cg_endo -69.71 146.11 59.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.87 172.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -111.91 114.29 27.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 19.4 t80 -72.6 143.08 48.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -156.38 149.41 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 131.01 -137.27 9.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.79 148.41 46.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -111.35 38.84 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 106' ' ' SER . 74.4 p -119.99 137.23 54.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.611 ' O ' HG23 ' A' ' 109' ' ' VAL . 25.6 ptt-85 -35.4 -33.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' THR . 2.5 t -57.08 -57.66 11.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -68.21 -54.26 19.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.8 mt -44.01 -37.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.647 HG22 HG23 ' A' ' 54' ' ' VAL . 54.9 t -76.5 -46.72 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.9 t -46.31 -45.68 17.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 114' ' ' ASP . 12.8 tpp180 -62.47 -62.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -34.12 -39.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.701 HD21 ' HB3' ' A' ' 57' ' ' GLN . 31.2 mt -68.52 -48.42 64.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 111' ' ' ARG . 1.6 m-20 -48.39 -34.7 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.596 HD13 HG21 ' A' ' 89' ' ' ILE . 8.1 mt -87.57 -45.64 10.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 16.5 t80 -44.29 -55.38 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' PHE . 68.5 m -34.48 -45.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 119' ' ' ASN . 15.9 t70 -84.81 -67.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.529 ' CG ' ' CG2' ' A' ' 27' ' ' VAL . 38.6 m-80 -34.7 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.957 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -61.51 165.63 6.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.534 0.683 . . . . 0.0 111.123 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.742 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.81 114.61 3.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.646 2.231 . . . . 0.0 112.357 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 121' ' ' PRO . 53.8 Cg_endo -69.71 155.27 66.55 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 125' ' ' LEU . 53.5 Cg_endo -69.82 167.03 25.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -47.51 93.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.605 HD13 ' N ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -134.81 140.51 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.605 ' N ' HD13 ' A' ' 125' ' ' LEU . 4.1 pp -51.67 149.99 4.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -81.61 116.73 21.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.3 t -60.15 -40.36 89.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.04 178.38 20.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -10.11 27.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.9 t 72.61 38.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.3 t -77.12 -46.86 22.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -124.19 100.95 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -167.34 147.2 5.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.03 39.25 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m 61.73 38.63 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.3 m -174.84 116.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.0 -145.42 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.9 27.15 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.9 129.39 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 28.9 mt -96.03 135.88 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -99.57 128.31 45.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD22 ' O ' ' A' ' 16' ' ' SER . 55.1 mt -121.23 163.51 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -126.81 178.69 5.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -58.94 -22.51 60.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.55 -23.73 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.497 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.3 t -99.98 17.35 21.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -100.38 -30.7 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -52.75 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -62.46 -8.99 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -105.72 -26.09 11.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.646 HG22 ' CG ' ' A' ' 28' ' ' TRP . 22.7 t -101.71 -57.35 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 21' ' ' VAL . 7.8 mt -64.41 -30.0 71.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -76.87 6.89 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -134.68 138.72 44.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -88.56 25.63 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.18 158.08 21.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.9 t -71.88 129.21 35.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.646 ' CG ' HG22 ' A' ' 21' ' ' VAL . 40.8 m95 -118.96 111.32 18.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.62 112.46 21.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.445 HG21 ' CE2' ' A' ' 17' ' ' PHE . 58.5 t -101.12 110.61 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 86' ' ' THR . 4.7 tp10 -109.29 104.62 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -74.62 124.73 27.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.529 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 1.5 p90 -135.67 162.73 31.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.09 138.64 30.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.636 0.731 . . . . 0.0 111.074 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -14.53 36.19 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.311 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.482 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.3 p-90 -110.63 7.37 22.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 42.2 t -103.42 127.11 50.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.26 -56.69 23.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.476 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . 24.2 m80 -38.83 -41.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -67.1 -52.96 35.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -45.55 -44.41 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -76.5 -29.26 56.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -79.6 -19.35 49.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tt0 -41.87 -58.42 3.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.683 0.754 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.75 -43.76 2.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' OE1' ' CA ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.55 -31.49 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -87.08 -32.76 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.72 -50.23 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.4 76.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.703 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -51.31 -43.05 61.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -38.47 70.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -78.01 -41.8 34.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' HB3' HG21 ' A' ' 109' ' ' VAL . 6.8 tp10 -67.29 -24.84 65.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.971 HG23 HG22 ' A' ' 109' ' ' VAL . 42.1 t -85.35 -48.13 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -65.0 -20.9 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.14 -30.17 22.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.781 ' HB3' HD21 ' A' ' 113' ' ' LEU . 81.2 mt-30 -89.83 -26.58 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 116' ' ' PHE . 48.1 p -99.26 5.15 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 61.84 27.42 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.16 -13.81 66.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.687 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -50.54 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' HB ' HG21 ' A' ' 58' ' ' THR . 42.1 t -79.97 106.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HE2' ' CZ2' ' A' ' 28' ' ' TRP . 17.0 mtpp -95.55 154.45 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -122.93 121.78 36.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . . . -126.6 152.98 45.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.71 156.55 25.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.1 t -143.97 137.9 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.509 ' CG ' ' HG1' ' A' ' 70' ' ' THR . 53.5 t0 -89.08 106.57 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.31 -11.78 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.509 ' HG1' ' CG ' ' A' ' 68' ' ' ASP . 30.4 p -84.67 -20.85 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.7 t -110.79 -35.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -90.15 109.36 20.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -106.87 -39.44 5.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.5 t -54.85 -40.98 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 17' ' ' PHE . 5.4 mt -83.24 -48.83 10.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.89 -40.89 44.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.3 t -78.11 -39.06 42.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -49.43 -51.94 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -100.52 -18.86 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.43 80.74 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.507 HG22 ' CE1' ' A' ' 84' ' ' PHE . 13.2 mm -109.11 107.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -124.8 -24.89 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.32 98.5 1.37 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.646 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -98.22 154.19 37.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.861 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.71 162.23 84.42 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.357 -0.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.486 HG21 HD12 ' A' ' 81' ' ' ILE . 2.5 m -138.16 108.08 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 mt -98.43 121.7 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -133.22 130.11 38.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.493 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 3.6 mp -92.09 140.24 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -125.59 106.61 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -93.81 163.72 13.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -92.08 110.28 21.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.61 -43.61 1.66 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -98.35 158.5 15.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 p -68.24 151.08 97.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.7 57.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.493 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 15.6 m -103.5 172.81 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -113.25 112.02 23.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -79.59 133.5 36.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -148.78 132.24 16.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 152.72 -131.88 3.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.48 147.59 42.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.429 ' HD3' ' CG ' ' A' ' 85' ' ' PRO . 30.4 mtt85 -110.02 33.64 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 106' ' ' SER . 44.3 p -119.15 135.92 54.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.703 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 28.9 ptt180 -34.63 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 104' ' ' THR . 4.8 t -56.1 -57.63 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -70.82 -51.67 25.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.6 mt -47.37 -37.85 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.971 HG22 HG23 ' A' ' 54' ' ' VAL . 36.0 t -78.77 -47.22 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 t -49.07 -34.27 13.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -74.32 -51.64 14.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.81 -37.35 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' A' ' 57' ' ' GLN . 65.9 mt -65.47 -53.38 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -43.93 -35.89 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.0 mt -88.24 -42.07 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.64 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 22.5 t80 -42.79 -35.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.3 t -74.35 -50.33 19.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -44.02 -46.57 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -96.0 -75.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.687 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -57.74 143.08 77.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.085 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 123.54 10.22 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.258 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 164.23 35.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.33 20.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.258 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -86.18 99.9 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -119.89 150.98 39.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.9 tp -78.04 144.16 36.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -47.04 135.08 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 43.5 m -142.06 146.0 34.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -149.69 -163.72 11.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 160.56 49.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.254 . . . . 0.0 112.374 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 45.3 t -152.23 106.5 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 t -86.82 127.71 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -80.76 104.04 11.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -59.0 91.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.05 -151.13 43.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -130.35 41.23 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.375 . . . . 0.0 110.826 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -147.89 175.42 10.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.02 -140.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -85.64 28.25 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 41.1 t -78.98 125.85 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.4 mt -97.1 143.24 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -101.93 136.72 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -120.98 173.63 7.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.602 HG22 ' H ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -128.85 173.23 10.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.602 ' H ' HG22 ' A' ' 13' ' ' THR . 4.5 p-10 -65.57 -12.24 51.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -116.91 -44.14 2.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.415 ' HB3' ' ND2' ' A' ' 20' ' ' ASN . 12.9 m -72.23 -23.13 61.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CE2' HG21 ' A' ' 30' ' ' VAL . 1.3 t80 -44.41 -40.84 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -36.54 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 22.4 mmmt -63.61 -18.07 63.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 16' ' ' SER . 13.4 m-80 -105.89 -34.83 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 17' ' ' PHE . 83.0 t -83.63 -64.93 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.49 -37.35 78.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 19' ' ' LYS . 31.1 t0 -65.95 -4.81 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -125.81 134.45 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -84.59 28.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -118.48 158.03 26.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 91' ' ' GLN . 39.7 t -71.0 126.5 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' HB2' HG13 ' A' ' 21' ' ' VAL . 34.6 m95 -116.31 111.12 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 mtp -82.86 102.02 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.595 HG21 ' CE2' ' A' ' 17' ' ' PHE . 20.6 t -91.9 122.5 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -120.73 127.66 52.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.483 ' CB ' HG21 ' A' ' 81' ' ' ILE . 25.7 m-85 -98.69 122.2 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 4.6 p90 -129.98 169.92 14.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -123.12 130.71 24.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.523 0.678 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.68 19.17 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -121.99 16.28 10.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 20.2 t -117.0 123.91 48.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.33 -34.59 85.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -54.14 -20.37 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -95.68 -51.5 4.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -42.41 -29.56 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.33 -29.53 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' CYS . 9.9 tp -80.51 -23.99 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tp10 -35.94 -59.98 0.72 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.693 0.759 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.2 Cg_endo -69.78 -38.79 7.28 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.319 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' OE2' HG22 ' A' ' 104' ' ' THR . 5.4 mm-40 -58.35 -31.68 67.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.435 ' HE3' HD13 ' A' ' 108' ' ' ILE . 60.1 t-105 -85.05 -38.45 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -58.89 -57.61 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.68 -52.23 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.821 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -47.99 -38.52 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.1 86.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -68.09 -42.6 80.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.476 ' CG ' HG11 ' A' ' 109' ' ' VAL . 8.6 tp10 -66.0 -31.26 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.833 HG23 HG22 ' A' ' 109' ' ' VAL . 97.6 t -80.67 -39.19 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -68.44 -34.3 75.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.93 -30.51 61.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -84.38 -56.22 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.568 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 19.9 p -73.8 3.93 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm 62.1 31.23 17.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.02 -11.59 66.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -68.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 112' ' ' ALA . 38.3 t -77.87 103.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -88.96 152.15 21.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.48 125.29 47.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.88 164.34 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.26 161.02 27.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.7 t -143.31 141.85 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.0 103.17 15.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.83 -12.05 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.0 p -83.95 -14.39 51.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.4 t -119.33 -35.93 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -86.98 109.51 19.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -106.1 -39.24 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -53.59 -50.34 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.28 -50.11 23.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.05 -35.1 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -84.33 -26.66 28.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.454 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 18.2 ttt85 -64.08 -41.78 97.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 39.6 m-85 -111.24 -22.52 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.33 75.13 1.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.658 HG22 ' CE1' ' A' ' 84' ' ' PHE . 21.1 mm -99.87 102.23 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -124.86 -29.11 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.38 101.18 1.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.658 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -98.95 153.91 37.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.901 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.4 Cg_endo -69.85 163.95 80.73 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.346 0.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.605 HG21 HD12 ' A' ' 81' ' ' ILE . 38.3 m -140.87 106.55 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 mt -97.0 126.8 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -132.24 139.89 48.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.8 mp -106.9 137.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.456 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 3.1 m-85 -126.69 134.32 50.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.442 ' HG2' HG22 ' A' ' 27' ' ' VAL . 34.3 mt-30 -132.45 128.76 38.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -50.15 145.24 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.88 12.98 16.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -139.93 161.32 37.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.5 p -86.73 146.36 41.08 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.407 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.78 141.66 45.76 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 6.6 m -108.51 161.11 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 1.6 p-10 -103.65 111.7 24.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -68.11 135.87 52.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -140.36 118.58 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 159.76 -140.48 6.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.99 131.03 10.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -84.52 32.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.417 HG22 ' OE2' ' A' ' 46' ' ' GLU . 75.0 p -105.23 135.67 46.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.578 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 21.4 ptt180 -38.6 -35.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.2 m -53.42 -57.94 8.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -72.68 -52.16 16.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.435 HD13 ' HE3' ' A' ' 47' ' ' TRP . 62.7 mt -43.7 -39.27 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.833 HG22 HG23 ' A' ' 54' ' ' VAL . 41.5 t -76.75 -48.05 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.8 t -48.11 -42.82 30.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -63.84 -62.5 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.513 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -41.05 -32.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.93 -48.17 66.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -51.09 -40.62 58.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.425 HD13 HG21 ' A' ' 89' ' ' ILE . 25.4 mt -77.44 -47.96 18.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.696 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 29.5 t80 -45.64 -38.2 6.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.9 p -52.94 -42.08 65.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -80.53 -57.87 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -48.23 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.696 ' HB3' ' CE1' ' A' ' 116' ' ' PHE . . . -69.73 147.97 96.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 111.113 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 138.86 38.86 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.355 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 165.72 29.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.388 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -173.43 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -81.6 90.39 6.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.38 170.0 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 tp -128.06 71.69 1.38 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -170.41 172.89 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.8 t -72.85 -53.67 10.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 71.05 85.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 104.19 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.0 t -151.19 178.05 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 133' ' ' GLY . 1.8 m 57.85 44.34 20.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.832 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 132' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -109.95 126.12 53.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -131.12 165.23 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.61 87.78 0.94 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -59.21 -50.78 72.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -106.54 -51.41 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.17 -141.61 3.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 27.2 t70 -98.18 26.02 5.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.83 0.348 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 t -78.91 127.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -103.12 144.04 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -104.3 120.57 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 20' ' ' ASN . 79.2 mt -104.6 172.98 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 14' ' ' ASP . 2.3 m -129.73 170.11 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.571 ' H ' HG22 ' A' ' 13' ' ' THR . 3.3 p30 -55.72 -27.03 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -109.2 -43.98 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -59.61 -34.07 72.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.794 ' HE2' HG21 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -50.79 -19.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -86.19 -56.06 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -71.65 -3.05 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.518 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 4.1 m-80 -104.85 -33.26 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 ' CB ' ' A' ' 28' ' ' TRP . 64.1 t -104.54 -60.08 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.81 -56.56 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.38 -10.31 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -107.22 107.76 18.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -56.54 -15.13 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.85 158.06 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.414 ' HB ' HG13 ' A' ' 62' ' ' VAL . 58.9 t -75.36 137.64 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.586 ' CB ' HG22 ' A' ' 21' ' ' VAL . 24.7 m95 -124.69 117.71 24.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.7 mtp -94.23 104.73 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.794 HG21 ' HE2' ' A' ' 17' ' ' PHE . 64.9 t -90.15 127.55 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.567 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 6.4 tp10 -123.19 98.01 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -70.56 125.85 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.456 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 4.7 p90 -133.9 166.86 21.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.18 130.33 24.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -11.26 30.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -115.76 17.39 16.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 t -121.65 138.66 54.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' CYS . . . -68.25 -48.0 55.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -43.47 -22.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -91.39 -47.93 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -50.8 -33.14 22.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.26 -25.84 29.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.786 HD13 ' HG3' ' A' ' 103' ' ' ARG . 22.0 tp -82.12 -19.13 40.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 5.0 tp10 -41.87 -60.26 2.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.7 -37.63 9.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.382 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' HB2' HD12 ' A' ' 43' ' ' LEU . 69.4 mt-10 -60.48 -32.51 71.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 52.8 t-105 -86.76 -41.21 14.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.91 -53.78 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -50.29 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.678 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -44.69 -53.36 7.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.89 -39.58 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -73.3 -35.23 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.572 ' HB3' HG21 ' A' ' 109' ' ' VAL . 14.5 tp10 -77.86 -24.04 48.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.921 HG23 HG22 ' A' ' 109' ' ' VAL . 55.2 t -80.3 -41.48 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -74.68 -25.26 59.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.08 -25.0 43.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.594 ' HB3' HD21 ' A' ' 113' ' ' LEU . 88.9 mt-30 -98.86 -37.58 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 54' ' ' VAL . 9.1 p -86.15 11.26 12.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt 60.77 25.13 14.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.79 -1.55 85.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 25.6 tptt -61.21 -74.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.414 HG13 ' HB ' ' A' ' 27' ' ' VAL . 3.7 t -70.12 108.61 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -95.09 154.33 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -121.12 120.23 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.93 165.0 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.98 154.61 42.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.523 HG23 HG13 ' A' ' 30' ' ' VAL . 60.4 t -135.3 138.5 48.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -90.6 94.66 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.51 -15.49 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.7 p -76.44 -27.5 56.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.7 -38.33 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.2 108.88 16.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -105.67 -37.58 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.32 -47.48 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.72 -56.58 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.76 -44.91 28.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.8 t -72.59 -26.68 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -67.41 -43.86 80.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -101.7 -15.64 16.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 78.69 53.83 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.77 HD12 HG21 ' A' ' 86' ' ' THR . 22.6 mm -84.97 102.87 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 111.149 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.68 -23.09 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.11 102.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.686 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -101.04 153.98 37.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.79 166.09 75.05 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.304 0.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.77 HG21 HD12 ' A' ' 81' ' ' ILE . 33.0 m -141.88 106.87 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.3 mt -98.04 113.2 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -123.99 143.58 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.438 ' HB ' HG23 ' A' ' 97' ' ' VAL . 4.1 mp -106.02 143.96 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 29.0 m-85 -133.53 131.31 39.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -123.21 162.36 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.93 139.19 37.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 60.72 15.88 43.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -136.79 176.43 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.377 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -100.48 150.32 36.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.686 0.755 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.503 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.4 Cg_endo -69.82 146.11 58.83 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.438 HG23 ' HB ' ' A' ' 89' ' ' ILE . 4.0 m -119.63 166.38 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.17 117.35 32.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.424 ' CG ' ' N ' ' A' ' 100' ' ' ASP . 75.3 t80 -53.46 161.92 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.424 ' N ' ' CG ' ' A' ' 99' ' ' TYR . 14.1 t0 -57.34 -63.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.53 -6.9 1.27 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.57 97.14 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.786 ' HG3' HD13 ' A' ' 43' ' ' LEU . 12.5 ttp-105 -78.26 48.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ARG . 24.6 p -147.7 129.05 14.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.678 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.3 ptt180 -37.09 -37.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.6 m -55.34 -55.58 29.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -70.72 -54.02 13.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.442 HD13 ' CE3' ' A' ' 47' ' ' TRP . 49.4 mt -45.22 -43.09 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.921 HG22 HG23 ' A' ' 54' ' ' VAL . 78.6 t -77.64 -47.27 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.0 t -47.99 -35.03 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -47.32 16.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.99 -40.25 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 57' ' ' GLN . 19.3 mt -57.66 -40.69 79.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.5 -41.82 77.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.6 -33.79 62.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.643 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 46.3 t80 -48.62 -67.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' ASP . 71.2 m -49.4 -52.99 24.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' SER . 5.3 m-20 -36.28 -45.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.82 -74.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.643 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . . . -45.81 142.29 3.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.522 0.677 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 164.07 35.89 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.52 45.63 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.343 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 105.82 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.24 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.85 172.49 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.14 172.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -146.05 150.82 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -145.38 133.02 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.7 t -122.22 125.86 46.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -86.04 -156.97 28.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.81 33.01 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.6 p -65.85 106.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.1 m -139.72 159.06 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -103.31 105.09 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -114.65 168.14 10.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.66 -83.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.539 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 p -92.58 42.91 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 m -140.78 168.63 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.63 -125.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -113.86 16.23 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -68.03 142.63 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.406 ' CD1' ' NZ ' ' A' ' 63' ' ' LYS . 77.7 mt -113.38 135.74 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -97.54 128.62 44.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.423 HD22 ' O ' ' A' ' 16' ' ' SER . 38.2 mt -119.78 166.16 13.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.56 HG22 ' N ' ' A' ' 14' ' ' ASP . 10.5 m -128.43 166.55 18.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.191 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.56 ' N ' HG22 ' A' ' 13' ' ' THR . 1.3 p-10 -46.19 -35.92 5.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -100.43 -31.46 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' HD22 ' A' ' 12' ' ' LEU . 9.2 t -89.22 15.24 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.62 -29.31 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.6 -44.6 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -72.77 -6.92 47.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -103.39 -33.0 9.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.639 HG22 ' CG ' ' A' ' 28' ' ' TRP . 61.5 t -99.73 -57.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.86 -35.46 74.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.87 0.52 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 t -125.48 142.2 51.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -94.23 30.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.41 157.79 25.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.584 HG23 ' NZ ' ' A' ' 61' ' ' LYS . 57.4 t -71.67 123.37 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.639 ' CG ' HG22 ' A' ' 21' ' ' VAL . 49.4 m95 -114.19 111.11 21.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.3 mtp -88.02 99.05 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.551 HG21 ' CE2' ' A' ' 17' ' ' PHE . 86.1 t -89.77 119.84 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' CD ' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -115.1 106.52 14.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CG ' HG21 ' A' ' 81' ' ' ILE . 25.5 m-85 -77.52 135.53 38.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 3.6 p90 -144.01 163.95 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -122.11 138.15 28.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.96 22.38 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -120.58 19.94 11.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 14.7 t -116.29 121.5 42.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.68 -43.88 73.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -51.57 -19.25 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 67.3 m -96.11 -47.1 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -48.36 -33.1 8.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -76.66 -27.55 55.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 46' ' ' GLU . 10.8 tp -84.74 -19.99 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 tt0 -38.73 -58.57 1.61 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.611 0.719 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.78 -32.14 19.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.761 ' OE2' HG22 ' A' ' 104' ' ' THR . 63.6 mt-10 -66.91 -28.01 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.528 ' CE3' HD13 ' A' ' 108' ' ' ILE . 64.6 t-105 -87.23 -39.39 15.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.91 -60.84 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.1 -53.84 37.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.892 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -44.69 -52.8 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.54 -33.35 6.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -80.39 -46.2 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.539 ' CG ' HG11 ' A' ' 109' ' ' VAL . 7.0 tp10 -67.02 -22.11 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.649 HG23 HG22 ' A' ' 109' ' ' VAL . 54.8 t -86.27 -43.45 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -68.99 -21.79 64.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -82.87 -40.96 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.639 ' HB3' HD21 ' A' ' 113' ' ' LEU . 64.0 mt-30 -78.62 -43.7 25.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 54' ' ' VAL . 8.5 p -82.41 9.84 8.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt 56.43 26.16 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.49 -7.68 79.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.584 ' NZ ' HG23 ' A' ' 27' ' ' VAL . 25.2 tptp -52.34 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 t -82.61 104.9 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 3.2 mtpm? -91.46 154.99 18.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mp -121.4 129.85 53.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.93 162.99 31.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.45 168.95 12.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.412 HG13 ' ND2' ' A' ' 72' ' ' ASN . 99.3 t -154.51 139.72 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.02 99.83 12.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.5 -18.06 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 64.3 p -71.55 -27.51 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.2 t -110.04 -29.03 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.412 ' ND2' HG13 ' A' ' 67' ' ' VAL . 5.8 m-80 -88.33 107.27 18.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -108.49 -33.35 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.3 -39.98 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' A' ' 17' ' ' PHE . 11.3 mt -85.84 -55.14 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.99 -27.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -85.01 -39.7 17.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.0 ttt-85 -54.19 -47.99 71.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 88' ' ' LYS . 2.8 m-85 -100.34 -21.54 15.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.76 40.09 8.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.707 HD12 HG21 ' A' ' 86' ' ' THR . 23.9 mm -64.53 104.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.777 0.322 . . . . 0.0 111.166 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -129.57 -30.46 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.84 93.81 1.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.559 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -94.18 153.99 40.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.76 153.65 93.03 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.374 0.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.707 HG21 HD12 ' A' ' 81' ' ' ILE . 32.2 m -132.35 123.86 27.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.1 mt -116.87 134.56 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 79' ' ' TYR . 15.3 mmtp -140.22 136.23 33.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 89' ' ' ILE . 4.0 mp -101.56 134.04 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -118.95 114.52 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -110.67 115.84 30.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -56.95 111.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.92 -46.27 1.09 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -120.87 171.25 8.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 p -61.2 155.48 56.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 176.2 7.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 98' ' ' ASP . 39.8 t -131.16 160.48 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.533 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 6.0 p-10 -116.09 105.73 12.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.523 ' HB2' HD11 ' A' ' 89' ' ' ILE . 49.8 t80 -79.67 126.59 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -133.57 69.25 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -123.84 -151.83 8.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.844 ' O ' HG23 ' A' ' 104' ' ' THR . . . -80.05 7.03 57.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.624 ' O ' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER 38.83 25.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.815 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 102' ' ' GLY . 74.7 p -97.52 136.11 38.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.892 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 19.1 ptt180 -37.81 -33.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.4 m -69.42 -45.12 69.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.3 m-20 -78.57 -52.26 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.624 HD11 ' O ' ' A' ' 103' ' ' ARG . 41.3 mt -48.62 -46.76 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 105' ' ' ARG . 76.3 t -64.7 -46.27 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -56.34 -26.63 53.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -85.62 -58.47 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.01 -42.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 57' ' ' GLN . 77.0 mt -57.72 -47.75 81.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -44.63 -46.89 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 89' ' ' ILE . 15.9 mt -72.64 -46.22 55.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' A' ' 120' ' ' ALA . 69.6 t80 -39.37 -55.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.2 p -54.0 -41.31 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -58.67 -64.2 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -74.82 -74.94 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.586 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . . . -67.98 154.0 94.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 111.146 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 153.54 68.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.697 2.264 . . . . 0.0 112.332 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 154.34 68.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 124' ' ' GLU . 53.4 Cg_endo -69.81 -179.46 2.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.264 . . . . 0.0 112.283 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 123' ' ' PRO . 7.7 pt-20 37.44 52.56 1.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.773 HD13 ' H ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -70.07 -175.11 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.58 97.49 5.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -78.69 -45.22 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.1 t -40.93 126.32 2.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -43.05 138.7 3.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -35.82 11.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -92.18 167.37 12.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.8 m -91.59 -43.55 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -155.61 178.61 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -126.18 112.33 15.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.19 44.07 97.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -120.49 -178.65 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -92.26 55.22 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.17 -138.24 14.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -71.65 -22.25 61.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.4 t -57.43 110.33 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.5 mt -91.7 141.43 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.174 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -103.24 137.21 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.438 HD21 ' CZ3' ' A' ' 28' ' ' TRP . 14.5 mt -120.4 163.12 18.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 14' ' ' ASP . 1.4 m -125.55 164.46 20.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' H ' HG22 ' A' ' 13' ' ' THR . 0.6 OUTLIER -40.74 -38.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -101.58 -20.16 15.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -95.63 16.01 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.574 ' HE2' HG21 ' A' ' 30' ' ' VAL . 1.9 t80 -96.39 -34.5 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -91.2 -53.31 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -15.27 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -103.45 -24.3 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.514 HG22 ' CG ' ' A' ' 28' ' ' TRP . 80.7 t -104.48 -63.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.53 -48.07 83.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -76.98 7.69 4.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -122.79 129.19 51.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.46 34.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -125.31 158.26 34.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -81.0 123.28 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.514 ' CG ' HG22 ' A' ' 21' ' ' VAL . 72.3 m95 -114.19 116.12 28.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.3 mtp -94.01 99.07 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.574 HG21 ' HE2' ' A' ' 17' ' ' PHE . 90.2 t -82.57 125.78 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.705 ' OE2' HD21 ' A' ' 43' ' ' LEU . 7.8 tt0 -123.32 92.48 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CG ' HG21 ' A' ' 81' ' ' ILE . 55.0 m-85 -63.53 128.65 36.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 2.3 p90 -140.11 164.35 30.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.04 135.97 26.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -12.88 33.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -114.91 13.2 17.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 23.9 t -111.09 108.52 18.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.69 -48.58 7.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -41.25 -50.69 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.4 t -56.56 -55.55 32.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -43.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -75.28 -28.57 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.705 HD21 ' OE2' ' A' ' 31' ' ' GLU . 50.3 tp -80.45 -22.17 41.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.513 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.3 tt0 -45.92 -59.5 4.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.684 0.754 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.78 -30.99 21.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.82 -28.4 66.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.511 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 53.1 t-105 -89.39 -40.96 12.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.53 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.63 75.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -53.19 -45.03 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -45.16 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -70.57 -34.4 72.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.568 ' HG3' HG11 ' A' ' 109' ' ' VAL . 6.5 tp10 -76.17 -24.54 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 50' ' ' ALA . 87.7 t -85.1 -38.75 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -73.04 -30.83 64.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -75.92 -29.53 58.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.577 ' HB3' HD21 ' A' ' 113' ' ' LEU . 80.4 mt-30 -89.47 -41.9 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.499 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 39.8 p -84.23 21.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 47.71 29.41 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.11 28.81 55.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.931 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 25.7 tptt -92.27 -44.56 8.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.6 t -96.64 113.61 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -97.81 148.95 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.483 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.0 mp -117.32 119.35 34.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.28 164.85 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.97 149.53 52.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.3 t -140.87 149.89 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.661 ' HB3' HG12 ' A' ' 71' ' ' VAL . 22.0 t0 -102.16 111.01 23.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . . . -61.02 -8.91 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -82.87 -29.3 29.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.661 HG12 ' HB3' ' A' ' 68' ' ' ASP . 7.5 p -107.5 -27.92 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.572 HD22 HG13 ' A' ' 71' ' ' VAL . 5.8 m-80 -95.38 112.79 24.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -111.09 -40.36 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -53.67 -37.7 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.08 -47.92 9.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.478 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -50.09 -43.28 51.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -75.33 -42.52 54.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -43.58 -51.3 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -105.14 -22.7 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 88.98 81.91 1.3 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.454 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.558 HD12 HG21 ' A' ' 86' ' ' THR . 28.3 mm -109.16 99.87 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -123.57 -19.73 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.17 98.13 1.07 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.609 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -96.56 153.88 38.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.726 . . . . 0.0 110.89 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.73 161.27 86.43 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.326 -0.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.558 HG21 HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -137.84 112.69 8.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -106.14 124.98 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -136.0 139.16 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.635 ' HB ' HG12 ' A' ' 97' ' ' VAL . 5.1 mp -103.33 137.9 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 96' ' ' PRO . 97.9 m-85 -125.81 107.67 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -93.96 128.97 40.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -61.0 115.81 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.415 ' N ' ' HD2' ' A' ' 92' ' ' LYS . . . 101.71 -38.9 2.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -96.42 176.45 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m -85.69 155.27 59.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.468 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.73 175.12 8.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.635 HG12 ' HB ' ' A' ' 89' ' ' ILE . 8.1 p -144.73 167.49 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.581 ' N ' HG22 ' A' ' 97' ' ' VAL . 6.4 p-10 -110.1 106.1 15.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -65.67 129.96 41.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -140.17 128.72 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 162.45 -129.62 2.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.47 155.64 21.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.664 ' HG2' HD13 ' A' ' 43' ' ' LEU . 2.3 ttp-105 -101.9 50.1 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.842 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ARG . 65.4 p -137.89 137.22 37.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 109' ' ' VAL . 14.6 ptt85 -36.41 -37.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 m -49.82 -58.71 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -67.84 -54.56 18.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.8 mt -43.74 -40.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 105' ' ' ARG . 82.9 t -73.27 -47.92 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.3 t -45.45 -47.15 13.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 114' ' ' ASP . 5.5 tpp85 -63.17 -59.55 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 54' ' ' VAL . . . -36.89 -37.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 57' ' ' GLN . 78.4 mt -70.56 -42.58 70.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 111' ' ' ARG . 7.4 m-20 -51.82 -38.67 56.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.9 mt -83.62 -38.79 21.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.693 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 31.3 t80 -53.99 -30.98 49.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.3 p -86.34 15.68 5.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.97 -30.94 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -115.23 -54.6 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.931 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -49.09 157.58 0.8 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.543 0.687 . . . . 0.0 111.144 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.494 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.75 169.93 17.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 160.69 48.76 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.321 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -173.25 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.315 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -39.25 143.55 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.8 pt? -148.25 171.03 16.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 125' ' ' LEU . 34.8 mt -37.57 107.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.07 159.64 44.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 54.2 p -101.7 125.8 48.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -69.57 120.9 10.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -172.87 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 78.7 p -98.87 155.52 17.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 59.1 p -105.26 41.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.806 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t 61.64 42.67 10.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -89.35 87.02 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.93 156.36 6.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -99.01 42.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 p -105.31 -53.31 2.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.72 -114.07 2.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 10.4 t70 -83.42 -26.32 30.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.16 119.68 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.8 mt -101.88 133.2 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -91.94 129.92 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.852 HD22 ' CG ' ' A' ' 20' ' ' ASN . 29.8 mt -112.21 177.32 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.625 HG22 ' H ' ' A' ' 14' ' ' ASP . 1.1 m -133.4 173.15 11.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 13' ' ' THR . 0.7 OUTLIER -57.14 -64.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -85.95 24.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 24.9 m -126.75 -29.99 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.726 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -50.45 -23.64 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.593 ' HB3' HD12 ' A' ' 22' ' ' LEU . 57.3 m-20 -95.99 -19.21 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 6.9 ptmt -91.11 -11.72 37.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.852 ' CG ' HD22 ' A' ' 12' ' ' LEU . 2.9 p30 -106.29 -33.4 7.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.52 -66.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD12 ' HB3' ' A' ' 18' ' ' ASP . 20.2 mt -53.82 -46.93 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -54.18 -14.88 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -121.83 137.69 54.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.03 28.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.5 158.11 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.407 ' HB ' HG13 ' A' ' 62' ' ' VAL . 59.2 t -71.2 123.45 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -113.96 110.96 20.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.7 mtp -84.1 99.67 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.726 HG21 ' CE2' ' A' ' 17' ' ' PHE . 66.2 t -89.68 124.2 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' OE2' ' C ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -123.66 126.2 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -97.59 121.8 39.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.433 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 7.2 p90 -127.65 169.84 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.1 131.59 24.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -10.33 28.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -118.76 19.12 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 13.9 t -116.36 142.62 46.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -69.96 -57.66 6.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' GLY . 87.1 m-70 -34.42 -48.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.7 t -59.71 -56.11 25.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -40.93 -33.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -86.02 -30.64 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' CYS . 32.5 tp -80.15 -14.18 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.2 tt0 -53.41 -60.06 7.89 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.645 0.736 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.0 Cg_endo -69.76 -28.99 24.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.49 -38.61 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -77.17 -42.44 37.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.53 80.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.19 -54.73 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -45.18 -47.74 12.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' A' ' 8' ' ' ASP . . . -47.47 -43.38 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -69.83 -45.59 67.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.514 ' HG3' HG11 ' A' ' 109' ' ' VAL . 5.5 tp10 -66.14 -24.62 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.7 HG23 HG22 ' A' ' 109' ' ' VAL . 94.3 t -84.61 -39.99 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -65.25 -36.27 83.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.475 ' HB3' ' CD2' ' A' ' 113' ' ' LEU . 71.9 mt-30 -79.84 -35.94 37.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.563 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 30.4 p -96.98 1.41 50.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 61.95 29.75 17.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.45 -7.31 82.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -56.43 -57.36 12.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.407 HG13 ' HB ' ' A' ' 27' ' ' VAL . 18.4 t -93.17 102.09 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -89.39 158.64 17.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mp -121.82 124.39 44.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.86 156.64 39.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.87 157.67 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.3 t -142.96 142.1 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.56 98.88 11.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.81 -14.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 p -76.09 -25.72 55.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.6 t -111.87 -36.97 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -82.29 108.4 15.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -107.56 -36.9 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.04 -41.32 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.43 -52.94 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.11 -43.37 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -73.18 -39.22 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -50.26 -49.38 53.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -100.96 -20.42 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 82.22 72.06 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.64 HD12 HG21 ' A' ' 86' ' ' THR . 3.5 mm -104.25 114.37 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -131.03 -31.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.25 94.83 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.54 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -93.82 154.65 40.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.89 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.73 160.86 87.24 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.383 -0.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.64 HG21 HD12 ' A' ' 81' ' ' ILE . 41.5 m -139.88 108.46 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 18.2 mt -98.69 124.22 51.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -131.81 131.37 42.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.626 HG21 HD13 ' A' ' 115' ' ' LEU . 4.4 mp -97.97 134.65 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 69.3 m-85 -118.16 129.42 55.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -119.01 139.04 52.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -63.88 111.37 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.98 -50.85 0.88 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -84.52 162.41 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.7 p -76.95 152.76 82.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.448 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.76 137.61 35.86 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.485 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 14.8 m -100.02 158.41 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.07 114.92 27.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 20.1 t80 -78.63 114.25 17.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -126.76 87.99 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -152.99 -161.88 10.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.462 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.03 157.42 35.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.46 ' CG ' HD13 ' A' ' 43' ' ' LEU . 15.9 ttp-105 -102.27 46.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.841 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 48.3 p -130.95 138.04 49.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 109' ' ' VAL . 21.4 ptt180 -40.16 -39.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 t -50.14 -61.19 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.92 -55.51 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.5 mt -42.95 -43.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.7 HG22 HG23 ' A' ' 54' ' ' VAL . 72.2 t -70.94 -49.3 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.2 t -43.25 -47.21 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -60.86 -60.79 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.44 -34.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 57' ' ' GLN . 71.4 mt -69.36 -53.55 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -46.2 -36.97 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.626 HD13 HG21 ' A' ' 89' ' ' ILE . 13.7 mt -86.33 -42.84 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.643 ' CD1' ' HB3' ' A' ' 120' ' ' ALA . 12.7 t80 -43.94 -32.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -73.31 -47.02 46.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -47.95 -44.62 30.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -93.36 -69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.694 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -74.42 152.58 87.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 147.72 63.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.302 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 167.67 23.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 2.267 . . . . 0.0 112.367 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.93 23.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -132.84 117.51 17.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 tp -172.93 162.13 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.19 141.88 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -48.13 99.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 70.4 m -103.91 105.95 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -98.18 143.62 16.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.28 39.77 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.744 2.296 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.9 p -49.62 -42.68 45.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -152.35 137.65 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -40.56 104.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 m -96.56 -62.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.85 125.08 1.86 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 p -121.22 11.76 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -174.24 109.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.17 -119.1 9.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -119.31 10.25 11.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.96 120.49 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -92.73 139.64 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -97.48 129.27 44.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 mt -123.78 162.46 23.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.3 p -119.03 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -63.3 -20.51 65.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -107.29 -49.86 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -60.39 -25.64 66.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.799 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.809 ' HE2' HG21 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -58.78 -15.78 13.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -90.54 -49.95 6.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.2 OUTLIER -73.67 -6.55 47.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.497 ' O ' ' NE1' ' A' ' 28' ' ' TRP . 8.2 m-80 -103.69 -31.37 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 28' ' ' TRP . 76.6 t -104.96 -62.71 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.39 -61.44 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.43 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 11.1 t70 -56.32 -14.07 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 t -98.95 133.91 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -90.53 27.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -123.83 158.07 32.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.06 125.56 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.561 ' CB ' HG22 ' A' ' 21' ' ' VAL . 47.5 m95 -117.26 117.65 30.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.64 113.7 25.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.809 HG21 ' HE2' ' A' ' 17' ' ' PHE . 60.2 t -102.16 111.64 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 8.7 tm-20 -108.25 93.1 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.468 ' CG ' HG21 ' A' ' 81' ' ' ILE . 64.3 m-85 -62.7 117.07 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.8 p90 -124.63 164.63 19.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.24 135.09 25.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -10.3 28.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.393 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -120.02 17.08 12.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 13.0 t -114.2 114.01 25.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.843 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -46.92 -55.01 8.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 38' ' ' GLY . 28.4 m170 -34.64 -53.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -54.63 -56.73 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -43.01 -42.85 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -74.99 -25.44 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.783 HD13 ' HG2' ' A' ' 103' ' ' ARG . 28.9 tp -86.34 -17.35 34.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.8 tt0 -42.3 -58.34 3.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.74 -41.08 4.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.39 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.697 ' HB2' HD12 ' A' ' 43' ' ' LEU . 24.3 mm-40 -58.57 -31.69 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.453 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 57.8 t-105 -88.03 -37.71 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.24 92.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HB1' ' HD2' ' A' ' 105' ' ' ARG . . . -68.51 -47.31 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -52.86 -41.63 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.7 84.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -75.76 -29.79 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -81.25 -23.19 38.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 50' ' ' ALA . 69.6 t -86.11 -41.01 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -73.2 -19.6 61.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -87.24 -28.86 22.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.621 ' HB3' HD21 ' A' ' 113' ' ' LEU . 80.0 mt-30 -91.69 -45.52 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.453 HG21 ' HB ' ' A' ' 62' ' ' VAL . 26.4 p -77.5 8.09 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 61.04 25.6 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.35 -8.61 79.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -69.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.453 ' HB ' HG21 ' A' ' 58' ' ' THR . 19.5 t -78.33 105.85 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -94.98 146.97 23.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -112.88 126.65 55.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.68 171.93 11.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.51 142.23 45.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.3 t -129.87 152.13 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.712 ' HB2' HG12 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -98.97 109.85 22.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . . . -68.34 -2.64 8.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.9 p -89.33 -25.77 21.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.712 HG12 ' HB2' ' A' ' 68' ' ' ASP . 14.6 p -112.77 -25.74 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.64 HD22 HG13 ' A' ' 71' ' ' VAL . 3.7 m-80 -94.21 111.73 23.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -111.05 -37.36 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.4 t -50.74 -42.95 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.02 -49.99 8.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -46.77 -43.38 18.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 t -76.28 -45.0 34.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -42.59 -49.02 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -106.02 -21.79 13.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 85.7 82.84 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.468 HG21 ' CG ' ' A' ' 32' ' ' PHE . 7.3 mm -113.21 103.63 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.12 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -125.67 -14.68 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.06 96.03 0.83 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.656 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -98.82 154.89 37.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.8 154.03 93.27 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.33 0.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.0 m -134.83 117.34 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.419 ' C ' ' HG2' ' A' ' 88' ' ' LYS . 17.2 mt -109.25 131.08 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.419 ' HG2' ' C ' ' A' ' 87' ' ' ILE . 23.6 mmtt -141.81 136.35 30.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -93.54 144.03 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -132.06 120.74 22.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 94' ' ' GLU . 38.4 mt-30 -108.75 154.73 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -67.74 99.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.96 -40.78 2.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 91' ' ' GLN . 16.0 mt-10 -67.73 170.36 8.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.41 144.58 43.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.9 47.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.601 HG12 ' N ' ' A' ' 98' ' ' ASP . 23.7 t -110.94 166.88 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.601 ' N ' HG12 ' A' ' 97' ' ' VAL . 6.2 m-20 -119.72 82.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -71.18 110.22 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -133.91 38.97 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -114.87 -145.4 8.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -41.55 129.89 3.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.462 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.783 ' HG2' HD13 ' A' ' 43' ' ' LEU . 25.8 ttm180 -104.32 45.19 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.434 ' C ' HD12 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -129.92 155.66 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.688 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.5 ptt-85 -52.06 -32.39 34.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -62.32 -62.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.56 -56.55 18.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.434 HD12 ' C ' ' A' ' 104' ' ' THR . 29.1 mt -44.01 -42.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 105' ' ' ARG . 41.3 t -70.25 -51.02 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.8 t -44.59 -46.06 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ASP . 13.4 tpp180 -61.96 -62.04 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -35.47 -37.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 57' ' ' GLN . 62.9 mt -69.69 -47.94 61.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' ARG . 14.8 t70 -47.54 -36.31 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt -85.47 -46.37 10.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.69 ' CD1' ' HB2' ' A' ' 120' ' ' ALA . 20.9 t80 -49.43 -56.47 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 116' ' ' PHE . 22.2 t -34.52 -38.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.22 -61.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -43.18 -69.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.81 ' HB1' ' HD2' ' A' ' 121' ' ' PRO . . . -46.84 167.87 0.14 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 0.0 111.123 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.81 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 54.1 Cg_endo -69.77 148.37 64.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 168.32 21.89 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.268 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.407 ' HB2' ' CD1' ' A' ' 125' ' ' LEU . 53.7 Cg_endo -69.71 -165.33 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.378 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -105.58 35.29 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.801 ' C ' HD22 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -164.81 163.27 21.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.634 ' N ' HD22 ' A' ' 125' ' ' LEU . 30.5 mt -85.19 126.38 33.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -130.22 -56.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 129' ' ' GLY . 4.6 t -135.66 145.28 46.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 128' ' ' SER . . . -35.61 103.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.547 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.423 ' HD2' ' HA2' ' A' ' 129' ' ' GLY . 53.4 Cg_endo -69.77 177.65 5.37 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.6 t -136.8 153.74 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 62.5 m -127.6 177.18 6.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -103.27 174.67 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -94.2 -49.56 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.33 -59.39 0.27 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -108.39 42.49 1.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -81.98 -50.85 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.17 -166.17 27.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.523 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 9.6 t70 -98.8 34.3 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 47.5 t -88.07 100.82 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.4 mt -78.2 137.38 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -99.39 127.51 45.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 16' ' ' SER . 27.0 mt -120.31 166.16 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 39.9 p -132.7 172.55 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -45.92 -38.84 8.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.67 -39.08 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.471 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.2 t -84.0 17.44 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -100.88 -34.48 9.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.41 -54.64 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -12.98 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -104.04 -29.19 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.622 HG22 ' CB ' ' A' ' 28' ' ' TRP . 55.9 t -101.24 -65.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.068 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.9 mt -53.53 -45.84 69.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.2 7.81 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.404 ' CB ' ' HE1' ' A' ' 28' ' ' TRP . 47.8 t -120.97 110.99 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.05 -16.85 34.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.06 155.75 27.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.655 HG23 ' NZ ' ' A' ' 61' ' ' LYS . 79.3 t -71.15 142.64 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.622 ' CB ' HG22 ' A' ' 21' ' ' VAL . 56.8 m95 -131.13 112.14 12.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.8 mtp -91.57 100.89 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.571 HG21 ' CE2' ' A' ' 17' ' ' PHE . 78.5 t -89.29 125.96 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.802 ' CD ' HD21 ' A' ' 43' ' ' LEU . 26.0 tt0 -121.13 109.1 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -79.11 132.49 36.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 1.8 p90 -144.72 162.41 36.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.2 138.92 30.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 111.092 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HD2' HG21 ' A' ' 70' ' ' THR . 53.9 Cg_endo -69.76 -10.39 28.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.28 . . . . 0.0 112.341 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.4 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.0 p-90 -114.78 21.59 14.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 3.5 t -123.05 120.46 33.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.3 -47.58 86.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -46.52 -20.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' LEU . 89.4 m -93.43 -51.04 5.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -44.22 -38.84 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -72.98 -29.8 63.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.802 HD21 ' CD ' ' A' ' 31' ' ' GLU . 14.8 tp -83.29 -19.55 36.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.574 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.3 tp10 -44.21 -55.82 9.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.3 Cg_endo -69.72 -45.1 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' OE1' ' CA ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -53.07 -44.69 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.51 ' CE3' ' OE1' ' A' ' 31' ' ' GLU . 65.7 t-105 -65.63 -43.33 89.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -56.01 -46.43 78.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 105' ' ' ARG . . . -65.04 -46.59 80.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -54.72 -42.13 71.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.523 ' HB1' ' HB3' ' A' ' 8' ' ' ASP . . . -53.72 -50.52 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -66.18 -41.15 90.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.528 ' HG3' HG11 ' A' ' 109' ' ' VAL . 4.5 tp10 -69.18 -23.23 63.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 50' ' ' ALA . 54.1 t -84.57 -44.46 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 37.8 pttt -69.1 -24.71 64.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.76 -33.76 30.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.66 ' HB3' HD21 ' A' ' 113' ' ' LEU . 83.1 mt-30 -88.6 -28.48 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 54' ' ' VAL . 28.7 p -100.13 19.49 16.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 51.61 25.94 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 80.0 22.48 63.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.939 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 25.1 tptp -79.6 -56.99 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.43 111.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -94.45 146.72 23.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.505 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.7 mp -113.97 124.72 52.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.36 162.46 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.143 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.78 146.48 50.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -137.47 144.82 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' OD1' ' HD3' ' A' ' 35' ' ' PRO . 11.2 t0 -102.91 103.26 13.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.95 -18.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.415 HG21 ' HD2' ' A' ' 35' ' ' PRO . 41.0 p -71.8 -31.99 67.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.85 -31.51 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.488 ' OD1' HD12 ' A' ' 75' ' ' LEU . 2.8 m-80 -87.15 109.86 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -107.53 -38.18 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.39 -41.47 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.488 HD12 ' OD1' ' A' ' 72' ' ' ASN . 14.4 mt -81.51 -57.46 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -43.08 -39.51 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -79.47 -41.97 26.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.532 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -56.57 -51.3 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.532 ' CZ ' ' HD2' ' A' ' 78' ' ' ARG . 30.0 m-85 -93.11 -21.14 19.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 83.5 45.43 6.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.614 HG22 ' CE1' ' A' ' 84' ' ' PHE . 14.9 mm -74.83 110.51 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -131.17 -33.0 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.99 100.49 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.614 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -100.61 154.12 37.36 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.699 0.762 . . . . 0.0 110.86 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.75 162.36 84.26 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.39 0.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.403 HG21 HD12 ' A' ' 81' ' ' ILE . 15.2 m -138.63 110.34 7.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.196 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.4 mt -100.25 121.23 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -130.74 145.04 51.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.481 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.5 mp -114.16 141.25 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 69.6 m-85 -130.78 121.63 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.555 ' HG2' HG22 ' A' ' 27' ' ' VAL . 82.0 mt-30 -123.51 149.57 45.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -75.63 121.99 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.48 -43.07 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.43 167.83 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -81.53 159.16 67.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.674 0.749 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.564 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.4 Cg_endo -69.76 136.55 33.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.613 2.209 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.481 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 6.7 m -101.1 173.67 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -117.37 109.02 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.472 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 14.1 t80 -80.12 109.13 14.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -131.4 87.09 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.7 -153.69 6.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.77 138.91 5.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 18.0 ttp-105 -103.13 49.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 105' ' ' ARG . 51.6 p -140.91 136.21 32.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.61 ' O ' HG23 ' A' ' 109' ' ' VAL . 18.8 ptt180 -36.14 -37.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 m -50.56 -58.39 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -69.77 -53.61 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.2 mt -42.44 -40.5 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 105' ' ' ARG . 72.0 t -73.08 -48.5 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.9 t -46.41 -46.76 18.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.635 ' CZ ' HD21 ' A' ' 115' ' ' LEU . 20.6 tpt180 -63.3 -50.71 68.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -43.92 -40.08 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 57' ' ' GLN . 78.5 mt -66.97 -43.2 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.01 -37.2 52.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.635 HD21 ' CZ ' ' A' ' 111' ' ' ARG . 4.5 mt -85.63 -37.1 19.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.528 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 12.1 t80 -52.87 -57.4 10.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.5 m -56.89 -12.84 2.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -80.61 -62.07 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 120' ' ' ALA . 3.2 m120 -85.5 -70.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.939 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -35.79 137.61 0.45 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 111.09 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 166.07 28.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 165.25 31.68 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 98.68 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.264 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -174.5 120.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.5 tp -166.38 156.19 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.0 tt -88.09 115.01 25.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.29 123.03 16.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.2 m -124.24 151.29 44.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -114.46 137.13 13.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 161.76 44.67 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.724 2.282 . . . . 0.0 112.368 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.1 m -96.7 143.09 27.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 22.4 t -125.05 158.58 33.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -108.82 -60.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -104.32 133.99 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.87 135.84 8.48 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -171.69 120.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -39.86 -44.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.16 -137.67 9.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -45.81 -38.76 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -64.97 141.7 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.5 mt -104.72 131.84 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -88.52 116.14 26.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 mt -113.26 157.85 21.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.1 p -113.01 -175.11 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.43 2.24 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -118.58 -52.1 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 p -70.73 -22.08 62.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.649 ' CD2' HD13 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -44.77 -37.57 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.46 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -84.14 -41.92 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -69.24 -11.36 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -106.03 -27.94 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.444 HG22 ' CG ' ' A' ' 28' ' ' TRP . 99.0 t -102.4 -66.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 18' ' ' ASP . 33.3 mt -58.6 -39.96 81.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.74 4.9 14.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -128.02 125.84 40.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.4 38.79 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.07 157.95 36.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.77 123.89 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CG ' HG22 ' A' ' 21' ' ' VAL . 59.9 m95 -117.96 112.85 20.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.4 mtt -89.9 103.57 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -93.16 117.32 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.703 ' CD ' HD21 ' A' ' 43' ' ' LEU . 40.3 tt0 -118.1 106.74 13.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -77.51 122.79 25.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -127.4 163.36 24.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' HB2' ' HD2' ' A' ' 84' ' ' PHE . . . -123.21 129.73 24.82 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.598 0.713 . . . . 0.0 111.101 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -4.25 13.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -125.01 26.79 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 11.7 t -125.72 114.52 18.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -59.34 -67.68 2.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' GLY . 2.4 t-80 -37.47 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLY . 1.7 t -84.9 -42.19 15.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' GLY . 8.2 ptmt -52.01 -35.43 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -67.2 -21.92 65.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.703 HD21 ' CD ' ' A' ' 31' ' ' GLU . 3.4 tp -88.21 -30.9 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.539 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 tp10 -34.72 -58.1 0.71 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.636 0.731 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.77 -35.9 11.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' OE2' HG23 ' A' ' 104' ' ' THR . 2.4 mm-40 -62.24 -32.05 72.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.584 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 67.5 t-105 -81.5 -43.28 19.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.36 -58.18 6.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.62 -53.5 51.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.777 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -43.66 -55.18 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.2 -42.15 8.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -72.44 -39.81 67.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.756 ' HG2' HG11 ' A' ' 109' ' ' VAL . 7.8 tt0 -77.48 -14.58 59.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.809 HG23 HG22 ' A' ' 109' ' ' VAL . 47.6 t -92.27 -42.6 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' GLY . 15.3 pttm -69.85 -31.56 69.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.89 -36.05 72.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.594 ' HB3' HD21 ' A' ' 113' ' ' LEU . 79.3 mt-30 -83.81 -44.09 14.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.5 HG22 ' HB2' ' A' ' 116' ' ' PHE . 72.6 p -80.38 12.94 2.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm 54.13 26.2 6.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 92.48 -15.14 63.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.63 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 33.0 tptt -48.44 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.409 ' HB ' HG21 ' A' ' 58' ' ' THR . 39.7 t -80.83 112.2 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -103.41 145.05 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.453 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.9 mp -111.23 123.1 49.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.37 163.41 19.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.07 152.76 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.6 t -139.97 141.49 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.81 94.73 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.34 -17.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.9 p -68.09 -33.12 73.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.4 p -109.36 -34.5 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -80.66 108.84 14.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -111.51 -39.8 4.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.3 t -50.25 -38.89 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.649 HD13 ' CD2' ' A' ' 17' ' ' PHE . 15.1 mt -89.17 -54.0 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.16 -44.29 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -74.24 -43.34 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 15.3 ttt85 -41.75 -49.13 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 14.7 m-85 -101.5 -22.14 14.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.0 72.96 1.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.852 HD12 HG21 ' A' ' 86' ' ' THR . 17.8 mm -97.47 99.23 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.343 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -123.62 34.95 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.31 88.78 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.644 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -92.0 154.26 43.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.847 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.76 160.12 88.55 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.31 0.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.852 HG21 HD12 ' A' ' 81' ' ' ILE . 45.2 m -139.83 105.96 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.9 mt -98.33 116.72 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -127.24 129.68 48.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.48 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -96.0 139.27 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -125.33 125.48 43.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -116.11 141.65 47.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 118.11 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.26 -48.59 2.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -82.41 161.14 22.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.1 p -76.13 153.17 84.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.685 0.755 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.32 59.83 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.737 2.291 . . . . 0.0 112.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 18.9 m -117.8 144.43 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.22 110.9 22.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -61.74 143.63 55.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -132.36 -32.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.88 172.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -46.19 142.74 4.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -90.09 33.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.434 HG23 ' OE2' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -114.58 149.78 36.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.777 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.3 ptt-85 -45.81 -37.36 6.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.7 m -57.97 -54.04 51.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -72.3 -53.73 11.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.3 mt -41.93 -47.64 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.809 HG22 HG23 ' A' ' 54' ' ' VAL . 98.9 t -64.06 -49.18 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -42.53 -48.02 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 112' ' ' ALA . 7.4 tpp180 -62.38 -63.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -36.49 -38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 57' ' ' GLN . 29.1 mt -64.82 -56.75 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 114' ' ' ASP . 37.5 t0 -47.02 -41.26 16.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.37 -38.39 55.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 120' ' ' ALA . 30.3 t80 -50.76 -48.51 59.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.6 p -61.95 -31.74 72.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -62.26 -57.49 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -85.14 -65.58 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.63 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -67.63 156.75 88.15 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.578 0.704 . . . . 0.0 111.128 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 54.0 Cg_endo -69.75 119.23 6.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 121' ' ' PRO . 54.1 Cg_endo -69.77 168.73 20.72 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 178.61 4.38 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.737 2.291 . . . . 0.0 112.32 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -64.75 102.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 13.2 mt -121.22 128.81 52.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.26 82.99 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 39.96 48.51 2.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.1 t -46.51 -61.47 1.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.65 -98.25 1.05 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.43 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 131' ' ' SER . 53.1 Cg_endo -69.8 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.652 2.234 . . . . 0.0 112.374 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 130' ' ' PRO . 46.9 t -34.31 -58.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.3 p -114.42 123.79 50.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.506 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 6.3 m 36.18 43.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 110.883 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 m -137.4 163.16 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.85 -80.28 0.29 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m 59.79 44.31 14.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.377 . . . . 0.0 110.893 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -117.96 90.68 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.61 -156.77 30.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -91.81 17.65 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.08 132.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 17.2 mt -108.4 140.21 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -101.4 116.59 33.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 90.8 mt -113.96 153.9 28.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.44 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 3.7 p -115.02 -175.55 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -53.77 54.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -77.29 -47.25 20.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -56.49 -45.69 80.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.826 ' HE2' HG21 ' A' ' 30' ' ' VAL . 2.7 t80 -43.99 -24.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.672 ' HB3' HD12 ' A' ' 22' ' ' LEU . 18.5 m-20 -86.74 -48.21 8.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -73.67 -5.64 41.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.441 ' CB ' HD22 ' A' ' 12' ' ' LEU . 10.3 m-80 -106.25 -38.26 6.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.3 t -96.68 -65.16 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.672 HD12 ' HB3' ' A' ' 18' ' ' ASP . 54.8 mt -53.93 -39.95 66.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.75 7.33 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -132.83 127.81 35.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -84.11 16.68 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -103.05 158.08 16.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.51 ' HB ' HG13 ' A' ' 62' ' ' VAL . 47.2 t -70.96 122.89 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.514 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 30.7 m95 -114.11 116.43 29.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.466 ' SD ' ' CG2' ' A' ' 87' ' ' ILE . 0.7 OUTLIER -91.22 111.0 22.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.826 HG21 ' HE2' ' A' ' 17' ' ' PHE . 41.3 t -102.34 113.58 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 11.2 tm-20 -107.96 96.43 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CB ' HG21 ' A' ' 81' ' ' ILE . 73.1 m-85 -66.04 114.4 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.3 p90 -122.15 166.45 14.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.22 137.02 27.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HD2' HG21 ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.74 -15.83 37.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -112.28 13.67 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.632 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 11.3 t -110.26 123.25 49.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -60.27 -52.69 51.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' GLY . 78.7 m-70 -35.97 -46.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.758 0.313 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -63.06 -57.6 10.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -41.08 -37.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 9.2 t30 -78.89 -31.41 45.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 40' ' ' CYS . 26.3 tp -79.1 -18.1 53.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.6 tp10 -39.37 -58.4 1.94 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.686 0.755 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.8 -45.37 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.237 . . . . 0.0 112.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HB2' HD12 ' A' ' 43' ' ' LEU . 2.0 mp0 -54.88 -27.88 46.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.434 ' CZ3' HG12 ' A' ' 87' ' ' ILE . 59.7 t-105 -91.69 -35.41 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.54 77.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.066 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.51 -47.32 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.782 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -48.39 -47.55 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.61 -55.0 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 m -63.03 -40.29 97.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.49 ' HG2' HG21 ' A' ' 109' ' ' VAL . 3.8 tp10 -67.1 -28.61 68.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 50' ' ' ALA . 78.1 t -80.25 -39.61 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -74.04 -27.93 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -77.5 -31.37 53.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.421 ' CB ' HD21 ' A' ' 113' ' ' LEU . 80.2 mt-30 -90.58 -40.34 12.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 54' ' ' VAL . 21.7 p -84.31 20.83 1.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt 50.33 26.45 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.76 28.16 47.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 48.1 tptt -88.85 -61.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.51 HG13 ' HB ' ' A' ' 27' ' ' VAL . 6.7 t -82.53 109.87 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 26.4 mttt -91.5 155.56 18.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -125.13 118.95 27.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . . . -126.71 172.05 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.77 161.83 30.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.409 HG13 ' CG ' ' A' ' 72' ' ' ASN . 92.6 t -147.83 122.64 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.492 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 46.6 p-10 -74.39 97.63 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.71 -14.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.461 HG21 ' HD2' ' A' ' 35' ' ' PRO . 75.1 p -75.59 -27.63 58.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.492 ' CG2' ' OD2' ' A' ' 68' ' ' ASP . 42.8 t -110.19 -37.64 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.409 ' CG ' HG13 ' A' ' 67' ' ' VAL . 3.9 m-80 -82.02 107.77 14.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -110.13 -35.04 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.34 -36.27 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mt -91.73 -50.31 5.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.25 -40.66 17.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 t -77.13 -38.21 52.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 58.3 ttt180 -53.52 -49.65 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 17.4 m-85 -99.2 -19.83 16.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 79.98 80.39 0.81 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.79 HG22 ' CE1' ' A' ' 84' ' ' PHE . 20.4 mm -111.16 106.02 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.0 -16.69 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.22 94.08 0.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.79 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -95.31 153.91 39.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.702 0.763 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.5 Cg_endo -69.8 160.95 87.29 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.33 0.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -141.65 106.15 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CG2' ' SD ' ' A' ' 29' ' ' MET . 17.0 mt -96.92 123.4 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -130.58 139.2 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 3.9 mp -98.6 144.59 11.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -128.47 106.16 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -110.24 109.29 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -46.39 122.07 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.25 -41.93 1.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -140.54 174.22 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -61.81 152.6 75.47 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.708 0.766 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.37 31.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 11.9 m -118.78 166.74 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -101.99 116.03 31.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.477 ' CG ' ' N ' ' A' ' 100' ' ' ASP . 49.2 t80 -50.94 169.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.477 ' N ' ' CG ' ' A' ' 99' ' ' TYR . 3.0 t70 -73.79 -56.42 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 129.89 8.82 3.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.15 -34.97 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 50.27 31.02 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' ARG . 19.4 p -146.1 127.59 15.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.782 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 21.4 ptt180 -37.9 -36.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.9 m -59.37 -54.42 46.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.43 -52.18 12.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 38.0 mt -48.07 -36.29 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.668 HG22 HG23 ' A' ' 54' ' ' VAL . 37.3 t -79.07 -45.74 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.2 t -49.69 -44.46 48.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -64.95 -51.8 59.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.06 -38.06 16.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.421 HD21 ' CB ' ' A' ' 57' ' ' GLN . 16.2 mt -70.55 -44.56 67.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.67 -29.57 27.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mt -94.6 -39.97 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.555 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 11.6 t80 -51.26 -50.52 59.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' PHE . 4.2 t -37.84 -38.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' ASN . 5.8 t0 -98.31 -61.41 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 118' ' ' ASP . 8.1 m120 -35.2 -64.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.635 ' HB1' ' HD2' ' A' ' 121' ' ' PRO . . . -53.95 162.67 1.36 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.536 0.684 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.635 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.74 115.77 4.25 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 121' ' ' PRO . 53.6 Cg_endo -69.74 164.09 35.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.284 . . . . 0.0 112.315 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.72 175.91 7.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' PRO . 7.8 tt0 -34.67 99.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 126' ' ' LEU . 0.7 OUTLIER -126.88 147.35 50.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.953 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.737 ' N ' HD13 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -77.43 72.0 3.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -86.78 148.19 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 t -81.5 177.01 9.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -52.98 -178.47 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.21 39.15 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.0 p -103.26 144.82 30.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.7 t -80.8 101.1 9.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -150.94 161.4 42.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -81.35 169.25 17.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.11 106.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -151.72 160.9 43.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.89 0.376 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.792 ' O ' HG12 ' A' ' 9' ' ' VAL . 16.9 m -104.75 138.85 40.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' HA3' ' HB1' ' A' ' 48' ' ' ALA . . . 40.74 -110.33 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.65 30.77 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.792 HG12 ' O ' ' A' ' 6' ' ' SER . 6.6 p -88.85 133.97 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.41 139.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -98.47 124.5 43.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 16' ' ' SER . 30.1 mt -117.99 164.29 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 26.3 p -129.82 178.51 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -53.74 -29.99 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -103.75 -30.93 10.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.535 ' O ' HD22 ' A' ' 12' ' ' LEU . 26.3 m -92.35 16.91 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.833 ' CE2' HG21 ' A' ' 30' ' ' VAL . 1.2 t80 -97.8 -47.94 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.33 -52.66 7.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -57.32 -15.08 5.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -102.57 -22.33 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.73 HG22 ' CG ' ' A' ' 28' ' ' TRP . 24.4 t -102.85 -63.29 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.404 HD23 HG12 ' A' ' 21' ' ' VAL . 6.4 mt -55.92 -29.42 60.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.7 9.12 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.0 t -131.96 146.47 52.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -97.3 26.5 4.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -118.72 158.06 26.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.03 124.2 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.73 ' CG ' HG22 ' A' ' 21' ' ' VAL . 50.0 m95 -114.16 111.61 21.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.0 mtp -87.96 100.84 13.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.833 HG21 ' CE2' ' A' ' 17' ' ' PHE . 39.3 t -90.8 119.3 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -119.6 117.5 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -92.5 133.91 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -140.73 172.79 12.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -122.58 133.19 24.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.582 0.706 . . . . 0.0 111.072 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.516 ' HD2' HG21 ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.76 -3.42 11.98 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -124.13 1.49 8.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 41.9 t -94.1 111.53 23.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.82 -59.26 9.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -44.76 -33.76 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.9 m -75.71 -44.85 40.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -51.71 -35.83 44.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -70.26 -24.69 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 103' ' ' ARG . 12.5 tp -89.14 -27.14 20.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.536 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.2 tt0 -36.86 -58.29 1.1 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.8 Cg_endo -69.77 -29.94 23.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.327 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' HB2' HD12 ' A' ' 43' ' ' LEU . 31.3 mm-40 -67.96 -33.01 73.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -79.21 -40.84 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HB1' ' HA3' ' A' ' 7' ' ' GLY . . . -59.03 -49.28 78.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.09 89.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.633 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -53.1 -43.15 66.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.69 -47.93 66.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -67.49 -40.1 85.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.925 ' HG2' HG11 ' A' ' 109' ' ' VAL . 14.2 tt0 -72.62 -14.34 61.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.82 HG23 HG22 ' A' ' 109' ' ' VAL . 37.3 t -92.42 -41.53 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -72.86 -20.39 61.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -81.68 -28.57 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.724 ' HB3' HD21 ' A' ' 113' ' ' LEU . 83.7 mt-30 -96.27 -36.55 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.573 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 49.5 p -85.73 20.39 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt 51.3 27.05 3.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.49 22.95 66.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.734 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 12.7 tptm -85.62 -64.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.53 109.11 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -95.29 137.67 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -106.42 123.57 48.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.97 158.44 35.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.424 ' CB ' ' OE1' ' A' ' 31' ' ' GLU . . . -121.05 154.38 36.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.97 148.69 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -101.19 99.78 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.692 ' CB ' ' CE1' ' A' ' 84' ' ' PHE . . . -58.0 -14.57 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.516 HG21 ' HD2' ' A' ' 35' ' ' PRO . 77.7 p -71.42 -27.04 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -113.34 -35.3 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -76.48 106.44 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -106.5 -30.45 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.99 -38.23 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.58 -56.81 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.12 -43.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -78.89 -39.84 33.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -46.72 -51.83 15.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -100.92 -21.02 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.86 58.51 2.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.707 HD12 HG21 ' A' ' 86' ' ' THR . 21.4 mm -59.4 -73.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 38.91 26.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.64 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -159.46 88.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -102.15 155.52 36.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 -179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.4 Cg_endo -69.7 165.86 75.37 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.413 -0.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.707 HG21 HD12 ' A' ' 81' ' ' ILE . 86.9 m -142.21 142.37 32.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.5 mt -133.96 122.78 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -131.67 148.45 52.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.479 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -114.29 138.06 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 38.1 m-85 -130.05 122.79 29.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 94' ' ' GLU . 27.3 mp0 -114.55 157.54 22.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.04 107.49 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.76 -46.22 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 91' ' ' GLN . 10.4 pt-20 -100.92 171.53 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.1 p -83.59 152.75 64.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.587 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.79 148.98 66.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.479 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 3.6 m -108.4 173.65 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 1.6 m-20 -113.52 103.51 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -66.51 112.0 3.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -126.03 92.37 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -174.81 -141.62 3.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.9 127.01 21.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.544 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -91.81 22.11 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 105' ' ' ARG . 81.7 p -100.19 136.6 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.633 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 19.5 ptt180 -36.68 -41.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -50.78 -59.06 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.96 -53.58 20.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.416 HD12 ' C ' ' A' ' 104' ' ' THR . 20.1 mt -42.15 -41.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.925 HG11 ' HG2' ' A' ' 53' ' ' GLU . 98.4 t -74.97 -48.16 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.7 t -49.23 -36.59 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -72.51 -53.09 13.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.31 -39.34 6.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.724 HD21 ' HB3' ' A' ' 57' ' ' GLN . 21.0 mt -61.01 -51.62 68.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.02 -44.79 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -78.98 -44.13 23.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.836 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 32.9 t80 -44.69 -40.36 5.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 91.9 p -70.72 -36.14 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.46 -53.99 50.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.39 -65.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.836 ' HB3' ' O ' ' A' ' 116' ' ' PHE . . . -56.49 152.26 25.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.552 0.691 . . . . 0.0 111.098 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.412 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 53.7 Cg_endo -69.77 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 121' ' ' PRO . 53.7 Cg_endo -69.74 161.26 46.63 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.82 77.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 126' ' ' LEU . 11.1 mt -136.16 154.45 50.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 125' ' ' LEU . 3.7 mt -34.72 138.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -40.73 119.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.7 m -80.29 147.52 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -97.35 103.43 2.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -173.01 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.2 p -150.45 146.43 26.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.1 m -119.59 101.46 7.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 47.43 48.12 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.908 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -84.29 45.03 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.27 149.91 23.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p -92.68 -51.15 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m -87.92 108.3 19.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.99 -161.06 11.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 24.7 t70 -92.57 19.62 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.71 121.53 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.637 ' O ' ' HB1' ' A' ' 65' ' ' ALA . 49.2 mt -94.84 135.41 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.38 138.6 31.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.9 mt -122.18 160.43 25.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.547 HG22 ' H ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -119.8 171.52 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.547 ' H ' HG22 ' A' ' 13' ' ' THR . 2.7 p30 -58.43 -17.2 18.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -117.47 -40.94 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -66.75 -22.59 66.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -52.83 -39.38 62.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.428 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.96 -38.61 19.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -67.47 -17.72 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.445 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 6.4 m120 -106.03 -25.86 11.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 17' ' ' PHE . 98.2 t -98.11 -65.44 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 18' ' ' ASP . 41.5 mt -60.57 -53.68 54.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -53.86 -15.21 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 t -112.1 133.07 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -85.62 27.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.12 158.03 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 62' ' ' VAL . 91.4 t -72.56 127.48 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 38.9 m95 -116.51 113.55 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.4 mtp -88.28 99.81 12.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.8 t -92.55 121.61 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.556 ' OE1' ' CD2' ' A' ' 47' ' ' TRP . 41.8 tt0 -121.86 100.16 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -73.03 129.72 38.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -135.94 176.36 8.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.4 132.3 24.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.707 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -7.72 21.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.47 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.4 p-90 -121.68 21.54 10.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 8.4 t -119.48 127.51 53.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -60.92 -55.6 28.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' GLY . 6.5 t-80 -35.23 -39.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -75.86 -54.28 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -43.3 -43.54 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.491 ' ND2' ' C ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -73.14 -25.67 60.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.475 HD13 ' HB2' ' A' ' 103' ' ' ARG . 4.6 tp -88.01 -19.08 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.532 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tp10 -39.41 -57.93 2.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.0 Cg_endo -69.79 -40.51 5.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.485 ' OE1' ' CA ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -58.08 -31.21 66.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.556 ' CD2' ' OE1' ' A' ' 31' ' ' GLU . 71.8 t-105 -82.67 -37.02 25.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.4 -56.52 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.97 64.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.875 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -52.14 -43.3 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.27 -46.95 72.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -71.16 -40.49 71.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HG3' HG11 ' A' ' 109' ' ' VAL . 10.9 tp10 -68.46 -26.7 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.874 HG23 HG22 ' A' ' 109' ' ' VAL . 55.8 t -83.45 -38.56 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -74.74 -21.57 59.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -86.23 -25.53 25.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.616 ' HB3' HD21 ' A' ' 113' ' ' LEU . 84.2 mt-30 -94.65 -43.21 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.557 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 31.0 p -83.61 22.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 50.66 29.75 4.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.63 23.42 72.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.918 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 11.4 tppt? -81.82 -61.11 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.47 HG13 ' CG1' ' A' ' 27' ' ' VAL . 21.3 t -83.38 105.69 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -88.05 155.54 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mp -122.55 121.91 37.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.637 ' HB1' ' O ' ' A' ' 10' ' ' ILE . . . -128.88 166.91 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.31 166.44 18.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.0 t -150.92 138.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.64 101.99 14.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.78 -10.12 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.47 HG21 ' NE1' ' A' ' 36' ' ' TRP . 61.9 p -85.12 -13.82 49.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.35 -29.78 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.32 105.64 17.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -106.95 -32.5 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.36 -39.22 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 17' ' ' PHE . 41.4 mt -86.07 -58.14 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -43.66 -38.47 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.1 t -74.28 -29.96 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' LEU . 50.5 ttt-85 -64.88 -46.88 79.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -96.48 -22.6 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 85.55 50.16 4.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.059 HD12 HG21 ' A' ' 86' ' ' THR . 28.7 mm -80.92 112.08 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -128.98 -29.32 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.39 107.22 2.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.551 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -100.94 154.74 36.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.3 Cg_endo -69.82 165.94 75.51 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.347 0.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 1.059 HG21 HD12 ' A' ' 81' ' ' ILE . 93.4 m -142.01 105.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.194 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.45 HD11 ' OE2' ' A' ' 31' ' ' GLU . 22.1 mt -97.86 123.5 50.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -130.08 138.65 50.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.673 ' HB ' HG23 ' A' ' 97' ' ' VAL . 4.2 mp -106.06 140.8 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 87.1 m-85 -128.48 112.24 14.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.541 ' OE1' HD22 ' A' ' 115' ' ' LEU . 29.3 mt-30 -112.98 73.01 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 91' ' ' GLN . 4.3 ttmt -34.3 112.67 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.57 -33.92 1.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -128.26 -76.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 t -175.63 142.82 0.67 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.705 0.764 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.583 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.79 162.03 43.66 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.624 2.216 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.673 HG23 ' HB ' ' A' ' 89' ' ' ILE . 2.3 m -137.83 178.31 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -125.5 119.6 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.454 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 54.6 t80 -73.49 118.77 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 100' ' ' ASP . 1.5 t70 -118.38 81.08 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -162.24 -146.75 4.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.45 145.25 27.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.506 ' C ' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -97.04 24.0 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.39 . . . . 0.0 110.912 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 106' ' ' SER . 35.3 p -94.59 130.15 41.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.203 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.875 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.4 ptt85 -34.04 -35.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 104' ' ' THR . 62.9 m -57.22 -58.79 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.28 -53.95 17.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.506 HD11 ' C ' ' A' ' 103' ' ' ARG . 35.7 mt -45.38 -46.29 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.874 HG22 HG23 ' A' ' 54' ' ' VAL . 56.0 t -71.66 -47.48 57.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.0 t -50.03 -37.88 35.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -73.52 -56.12 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.91 -37.72 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 57' ' ' GLN . 20.0 mt -58.85 -41.08 86.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -56.43 -40.61 75.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.541 HD22 ' OE1' ' A' ' 91' ' ' GLN . 11.8 mt -73.32 -43.44 60.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.797 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 51.5 t80 -51.93 -39.2 58.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 m -89.56 24.93 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -130.8 -32.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.36 -39.57 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.918 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -65.26 160.97 53.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 111.147 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 54.0 Cg_endo -69.74 146.3 59.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.256 . . . . 0.0 112.359 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 125.21 11.89 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 122.45 9.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -49.88 167.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.92 133.43 49.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 126' ' ' LEU . 10.4 tp -155.88 131.01 9.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -116.73 -51.42 2.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.3 t -157.13 127.64 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.442 ' N ' ' HD2' ' A' ' 130' ' ' PRO . . . -74.61 -61.48 3.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 131' ' ' SER . 53.6 Cg_endo -69.8 2.65 3.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 130' ' ' PRO . 86.3 p -35.11 -41.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.9 p -123.43 -69.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -68.98 114.64 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.379 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.9 p -101.0 80.25 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.74 128.61 2.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -70.57 -58.49 3.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -61.22 -49.77 75.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.7 -140.81 5.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -92.37 16.8 10.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.32 134.75 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.3 mt -102.97 141.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -98.93 121.49 40.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -118.3 170.79 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 32.9 p -128.87 -177.05 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -25.02 67.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 7.0 t70 -105.18 -49.1 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -62.7 -23.82 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.862 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -56.6 -29.97 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.693 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -93.17 -42.99 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -12.63 38.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -103.07 -42.48 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.866 HG22 ' CB ' ' A' ' 28' ' ' TRP . 73.9 t -85.69 -64.66 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.693 HD12 ' HB2' ' A' ' 18' ' ' ASP . 51.5 mt -53.99 -44.2 70.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -74.95 4.8 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.3 t -128.87 114.88 17.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.82 -14.71 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -76.18 153.8 35.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.6 135.61 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.866 ' CB ' HG22 ' A' ' 21' ' ' VAL . 37.6 m95 -122.82 114.66 20.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.3 mtp -90.16 106.41 18.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.862 HG21 ' CE2' ' A' ' 17' ' ' PHE . 92.7 t -90.71 131.85 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.21 104.09 7.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CG ' HG21 ' A' ' 81' ' ' ILE . 26.8 m-85 -78.99 126.9 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -139.3 167.7 21.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.489 ' HB1' ' CE2' ' A' ' 36' ' ' TRP . . . -122.47 135.75 25.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -3.06 11.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.489 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.1 p-90 -120.09 -3.62 10.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 t -89.82 111.36 22.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.19 -54.49 31.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -45.69 -39.85 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.5 m -72.8 -40.81 65.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -52.29 -36.82 53.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -73.53 -24.95 60.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 46' ' ' GLU . 7.1 tp -83.89 -25.43 30.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.7 tt0 -36.54 -58.52 1.0 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.842 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.4 Cg_endo -69.75 -34.1 15.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.308 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' HD12 ' A' ' 43' ' ' LEU . 89.6 mt-10 -64.81 -30.9 71.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.5 ' CE3' HD13 ' A' ' 108' ' ' ILE . 65.3 t-105 -84.25 -33.15 24.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.08 -57.43 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.83 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.816 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -42.84 -47.95 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.51 -42.54 74.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -72.43 -38.3 68.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.926 ' HG2' HG11 ' A' ' 109' ' ' VAL . 10.4 tt0 -75.1 -12.26 60.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.024 HG23 HG22 ' A' ' 109' ' ' VAL . 19.8 t -93.56 -43.85 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -71.17 -26.31 62.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CD ' ' HA ' ' A' ' 53' ' ' GLU . 19.5 pt-20 -77.4 -25.49 50.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -96.52 -37.05 10.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.483 HG21 ' HB ' ' A' ' 62' ' ' VAL . 55.4 p -86.49 1.49 51.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 62.39 37.72 13.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.8 -13.44 36.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.59 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -50.86 -68.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.483 ' HB ' HG21 ' A' ' 58' ' ' THR . 53.8 t -84.35 121.86 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' C ' HD12 ' A' ' 64' ' ' LEU . 23.2 mtpp -109.19 159.82 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 63' ' ' LYS . 9.6 mp -126.48 127.31 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.15 165.83 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.9 151.52 50.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 68' ' ' ASP . 59.1 t -134.7 153.55 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' N ' HG12 ' A' ' 67' ' ' VAL . 45.0 m-20 -106.37 97.23 7.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.03 -16.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.8 p -72.74 -32.37 65.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -105.91 -29.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.93 110.56 20.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -110.51 -31.25 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -59.67 -39.46 79.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.1 mt -85.07 -56.07 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.43 -26.7 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 t -89.75 -33.97 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.453 ' HD3' ' CE1' ' A' ' 79' ' ' TYR . 18.6 ttt85 -63.64 -42.5 98.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 22.3 m-85 -105.32 -19.62 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.27 45.29 6.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.628 HG22 ' HE1' ' A' ' 84' ' ' PHE . 24.7 mm -75.48 100.62 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -126.89 -27.35 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.91 95.11 1.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.628 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -97.39 153.95 38.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.646 0.736 . . . . 0.0 110.891 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.9 Cg_endo -69.77 154.14 93.22 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.345 0.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -133.5 119.47 19.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.9 mt -113.0 126.85 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' C ' HD12 ' A' ' 89' ' ' ILE . 24.0 mmtm -134.47 141.78 46.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.693 ' N ' HD12 ' A' ' 89' ' ' ILE . 1.9 mp -105.38 139.27 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 28.6 m-85 -129.16 129.62 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.505 ' OE1' HG22 ' A' ' 89' ' ' ILE . 9.8 mp0 -131.44 133.21 44.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -61.23 143.82 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.88 -41.72 2.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -116.57 162.77 17.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.1 p -74.88 153.15 86.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.526 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.5 Cg_endo -69.76 162.83 40.58 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.458 HG23 ' HB ' ' A' ' 89' ' ' ILE . 1.4 m -127.37 -176.4 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -113.55 117.82 32.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -48.25 153.81 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -52.49 -67.45 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 159.95 -16.31 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.87 97.43 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -83.37 36.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 105' ' ' ARG . 36.9 p -124.75 131.65 53.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.816 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 21.3 ptt180 -36.73 -36.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.4 p -62.63 -51.62 66.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.79 -52.82 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.5 HD13 ' CE3' ' A' ' 47' ' ' TRP . 43.5 mt -46.19 -48.5 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.024 HG22 HG23 ' A' ' 54' ' ' VAL . 75.8 t -70.76 -45.65 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 t -51.26 -31.0 19.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.664 HH12 HD21 ' A' ' 115' ' ' LEU . 21.6 tpt85 -78.85 -55.18 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.434 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -41.44 -34.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.37 -38.81 78.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' ARG . 30.3 t0 -51.88 -28.2 15.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.664 HD21 HH12 ' A' ' 111' ' ' ARG . 8.7 mt -95.9 -41.48 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.817 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 20.2 t80 -56.21 -32.44 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.3 m -68.6 -11.93 60.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -99.2 -44.1 6.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -78.23 -73.22 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.817 ' HB3' ' CE1' ' A' ' 116' ' ' PHE . . . -78.58 161.83 68.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 111.068 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 54.4 Cg_endo -69.68 120.16 7.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.373 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 147.31 62.27 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 87.98 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -60.78 127.38 31.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -156.7 135.12 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 tt -114.2 101.04 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -155.6 134.6 12.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 t -155.34 142.68 19.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 70.94 149.75 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.26 64.81 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.8 m -132.42 164.4 26.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.7 t -162.74 133.12 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 t -58.24 136.73 57.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -74.13 98.88 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.73 -44.55 17.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 50.74 43.5 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -123.6 2.14 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.92 -143.98 16.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.16 -22.4 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.42 127.4 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.5 mt -104.26 138.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -99.07 133.6 43.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -123.12 176.97 5.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.9 p -131.17 -175.62 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.88 -17.65 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -108.74 -49.97 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -61.78 -38.3 87.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -38.51 -39.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.441 ' OD1' ' CE ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -91.43 -35.52 14.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' CE ' ' OD1' ' A' ' 18' ' ' ASP . 9.3 mmpt? -67.65 -14.43 62.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -105.95 -34.88 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.723 HG22 ' CB ' ' A' ' 28' ' ' TRP . 43.1 t -87.48 -55.1 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.37 -38.24 87.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -76.21 3.2 11.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t -130.18 115.33 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -61.62 -18.17 58.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -72.35 157.51 37.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.96 138.99 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.723 ' CB ' HG22 ' A' ' 21' ' ' VAL . 24.7 m95 -126.65 114.09 17.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.5 mtp -91.14 102.35 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -92.22 131.38 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.5 tm-20 -125.59 91.31 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.863 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 52.3 m-85 -59.74 124.01 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 6.9 p90 -134.8 173.83 11.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.708 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -122.98 135.38 25.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 111.124 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.403 ' HD2' HG21 ' A' ' 70' ' ' THR . 54.5 Cg_endo -69.7 -6.1 17.75 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -125.26 1.93 7.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.708 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 51.6 t -91.66 122.08 33.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -56.03 -58.64 13.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.2 m170 -35.53 -46.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.329 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -62.76 -54.22 42.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -43.79 -37.39 2.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -75.99 -30.11 58.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' CYS . 21.9 tp -81.31 -23.1 38.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.1 tp10 -35.65 -59.62 0.71 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.665 0.745 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.76 -45.18 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' CA ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.0 -28.66 53.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -89.74 -38.5 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.18 81.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.83 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -42.72 -55.13 3.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.89 -50.91 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -37.43 84.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.791 ' HG2' HG11 ' A' ' 109' ' ' VAL . 6.3 tt0 -76.96 -14.03 59.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 50' ' ' ALA . 69.3 t -93.99 -43.91 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -70.65 -17.46 62.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -86.13 -31.75 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.685 ' HB3' HD21 ' A' ' 113' ' ' LEU . 81.7 mt-30 -90.94 -38.87 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.576 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 66.3 p -81.93 15.89 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 56.8 25.49 10.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.67 18.71 67.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 26' ' ' ASP . 16.8 tptm -83.33 -66.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.406 ' HB ' HG21 ' A' ' 58' ' ' THR . 44.8 t -73.28 118.1 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -103.02 157.08 17.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 mp -125.76 120.27 30.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.48 175.16 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.44 163.48 30.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.9 t -155.74 148.13 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.488 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -85.38 98.67 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 32' ' ' PHE . . . -60.43 -19.11 55.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 70' ' ' THR . 0.3 OUTLIER -86.13 -18.55 32.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 68' ' ' ASP . 64.6 t -106.37 -25.64 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.488 ' ND2' ' OD1' ' A' ' 68' ' ' ASP . 6.3 m-80 -94.78 111.75 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -103.29 -24.93 13.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.9 t -66.69 -35.97 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 17' ' ' PHE . 11.0 mt -92.19 -50.96 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.404 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -52.58 -29.56 26.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 t -84.39 -24.83 29.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -75.72 -35.85 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -111.0 -16.97 13.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.404 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 77.8 77.05 0.85 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.452 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.533 HG22 ' CE1' ' A' ' 84' ' ' PHE . 10.2 mm -106.69 115.97 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 111.084 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -127.68 -26.15 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.22 119.43 5.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.605 ' HD2' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -114.33 155.98 45.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.1 Cg_endo -69.74 166.71 73.3 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.394 -0.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -141.8 106.04 4.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.1 mt -94.15 123.76 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -135.76 133.69 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.557 ' HB ' HG23 ' A' ' 97' ' ' VAL . 2.9 mp -89.61 149.05 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -138.07 131.71 31.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -125.03 143.58 50.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -67.54 105.48 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.7 -47.5 1.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.89 167.39 21.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 p -83.84 142.24 41.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.683 0.754 . . . . 0.0 110.832 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 150.84 69.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.557 HG23 ' HB ' ' A' ' 89' ' ' ILE . 2.7 m -129.52 178.88 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.94 132.21 56.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -81.66 -74.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.1 t70 51.94 51.17 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.2 -132.11 3.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.33 0.13 63.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.415 ' NH1' ' HG2' ' A' ' 85' ' ' PRO . 53.9 mtt-85 62.46 28.21 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.3 132.32 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 109' ' ' VAL . 22.4 ptt180 -40.26 -40.61 1.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 m -53.83 -47.0 71.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -82.0 -51.15 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.2 mt -46.73 -41.22 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.791 HG11 ' HG2' ' A' ' 53' ' ' GLU . 87.3 t -70.95 -48.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.3 t -44.23 -48.17 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -63.25 -56.85 13.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.08 -37.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.685 HD21 ' HB3' ' A' ' 57' ' ' GLN . 43.4 mt -70.0 -40.75 75.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.49 -37.12 62.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.9 mt -88.02 -37.12 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.576 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 20.1 t80 -47.65 -60.79 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 t -46.73 -42.03 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.08 -44.85 95.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.23 109.36 10.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.833 ' HB1' ' HD2' ' A' ' 121' ' ' PRO . . . -174.49 168.49 1.96 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.563 0.697 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.833 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.76 169.45 18.89 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.343 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 124.37 10.99 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.295 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -169.08 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.396 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -94.9 144.19 25.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 125' ' ' LEU . 5.2 mp -44.16 122.38 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 126' ' ' LEU . 1.2 tm? -156.49 122.7 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.435 ' OE1' ' C ' ' A' ' 127' ' ' GLU . 0.0 OUTLIER -127.11 119.4 26.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.9 t -131.87 133.78 45.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 130' ' ' PRO . . . 148.51 95.29 0.15 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 129' ' ' GLY . 53.8 Cg_endo -69.77 169.29 19.28 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.9 m -95.48 157.83 15.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.4 t -99.55 -178.93 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -98.48 114.99 27.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -87.01 -55.25 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.79 97.41 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.0 p -148.99 147.75 28.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 8' ' ' ASP . 1.5 t -70.33 -175.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.859 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.726 ' HA3' ' HB1' ' A' ' 48' ' ' ALA . . . -46.23 90.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' SER . 10.4 t70 38.32 28.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 7' ' ' GLY . 61.0 t -87.04 105.32 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.1 mt -80.78 136.05 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -101.74 128.05 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.7 mt -111.93 172.04 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 14' ' ' ASP . 4.3 m -133.17 164.42 27.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' N ' HG22 ' A' ' 13' ' ' THR . 14.4 m-20 -46.74 -37.46 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -100.32 -15.71 17.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 61.2 m -105.23 16.6 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -98.87 -29.83 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.893 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.401 ' HB3' HD12 ' A' ' 22' ' ' LEU . 63.9 m-20 -88.74 -52.79 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -64.2 -10.93 26.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -101.28 -28.11 12.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.533 HG22 ' CB ' ' A' ' 28' ' ' TRP . 50.1 t -101.56 -61.5 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.424 ' O ' ' CE ' ' A' ' 92' ' ' LYS . 16.8 mt -55.27 -55.32 32.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.3 -12.8 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.414 ' CB ' ' HE1' ' A' ' 28' ' ' TRP . 32.9 t -103.89 101.13 10.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -49.8 -23.44 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.19 157.83 36.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.67 145.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CB ' HG22 ' A' ' 21' ' ' VAL . 43.5 m95 -131.29 111.69 12.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mtp -87.49 101.0 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' A' ' 17' ' ' PHE . 40.6 t -85.22 130.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 5.2 tp10 -127.16 96.78 4.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -70.02 128.64 37.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.566 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 2.3 p90 -139.82 165.38 27.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . . . -122.99 137.52 28.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.547 0.689 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -18.71 37.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.395 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.558 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.2 p-90 -105.08 9.81 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.7 t -109.7 128.26 55.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.27 -53.23 43.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -40.24 -33.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -73.57 -58.52 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -46.17 -41.7 12.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -73.21 -29.48 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' HB2' ' A' ' 46' ' ' GLU . 12.3 tp -80.69 -22.42 40.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.612 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -37.91 -54.11 2.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.915 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.0 Cg_endo -69.79 -46.58 1.16 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' HB2' HD12 ' A' ' 43' ' ' LEU . 2.6 mp0 -55.92 -28.1 55.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 58.8 t-105 -92.5 -37.96 12.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.726 ' HB1' ' HA3' ' A' ' 7' ' ' GLY . . . -56.96 -53.29 59.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.43 -49.3 76.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.696 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -51.25 -45.41 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.58 70.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -81.02 -31.43 34.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' HG3' HG11 ' A' ' 109' ' ' VAL . 11.4 tp10 -76.98 -20.8 55.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 HG22 ' A' ' 109' ' ' VAL . 55.1 t -84.98 -39.76 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -75.75 -20.47 58.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.8 -30.4 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.413 ' CB ' HD21 ' A' ' 113' ' ' LEU . 69.5 mt-30 -94.65 -40.09 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.571 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 34.6 p -82.56 18.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm 53.37 27.49 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.71 17.87 71.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.67 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 12.9 tppt? -77.17 -65.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.9 t -76.41 110.55 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -97.57 141.83 30.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.19 128.2 54.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.2 160.49 32.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.57 154.46 46.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.46 HG13 ' ND2' ' A' ' 72' ' ' ASN . 60.9 t -142.86 141.65 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -89.83 105.78 18.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.08 -13.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.558 HG21 ' NE1' ' A' ' 36' ' ' TRP . 31.9 p -83.05 -23.29 33.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.81 -35.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.549 ' OD1' HD12 ' A' ' 75' ' ' LEU . 3.8 m-80 -87.89 110.81 20.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -106.87 -39.73 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.4 t -55.08 -39.41 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.549 HD12 ' OD1' ' A' ' 72' ' ' ASN . 5.6 mt -87.27 -52.09 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -49.5 -39.23 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 t -78.27 -37.92 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -52.32 -51.81 56.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -100.96 -16.5 17.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 80.18 86.87 0.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.949 HG22 ' CE1' ' A' ' 84' ' ' PHE . 50.4 mm -105.02 115.59 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -134.38 -34.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.41 101.66 2.08 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.949 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -104.08 155.83 36.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.737 . . . . 0.0 110.894 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.71 162.99 82.86 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.362 -0.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.481 HG21 HD12 ' A' ' 81' ' ' ILE . 3.6 m -140.05 108.84 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.401 ' CG1' ' OE2' ' A' ' 31' ' ' GLU . 18.5 mt -95.81 124.27 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -134.18 126.31 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.461 ' HB ' HG23 ' A' ' 97' ' ' VAL . 2.7 mp -88.63 147.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 94.4 m-85 -138.03 127.94 25.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -124.62 131.09 53.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' CE ' ' O ' ' A' ' 22' ' ' LEU . 21.0 tttm -50.08 124.63 10.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.54 -41.83 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -76.04 163.53 27.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.5 t -85.02 139.49 36.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.0 Cg_endo -69.75 153.6 68.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.461 HG23 ' HB ' ' A' ' 89' ' ' ILE . 3.6 m -129.83 171.35 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -112.63 116.87 30.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.422 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 89.1 t80 -84.26 128.81 34.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -127.31 65.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -87.8 -149.56 17.5 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.25 17.27 58.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.531 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 56.19 25.44 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.442 ' C ' HD12 ' A' ' 108' ' ' ILE . 0.9 OUTLIER -122.13 139.42 53.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.696 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 20.4 ptt180 -46.49 -36.34 6.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -54.75 -53.16 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -75.7 -52.16 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 104' ' ' THR . 21.2 mt -46.51 -42.21 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 54' ' ' VAL . 44.9 t -72.21 -47.7 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.3 t -45.3 -44.2 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 114' ' ' ASP . 0.0 OUTLIER -71.57 -53.05 15.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.05 -30.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 57' ' ' GLN . 85.8 mt -77.8 -38.74 45.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' ARG . 2.9 m-20 -57.27 -30.8 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -93.93 -35.99 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.612 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 7.0 t80 -48.3 -57.61 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' ASP . 24.9 t -52.21 -56.05 17.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' SER . 15.2 m-20 -35.76 -55.84 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.35 -74.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.67 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -51.68 140.22 28.32 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.559 0.695 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.469 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 53.5 Cg_endo -69.82 112.29 3.05 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 121' ' ' PRO . 53.3 Cg_endo -69.82 166.27 28.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.325 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.801 ' HG2' HD23 ' A' ' 125' ' ' LEU . 53.8 Cg_endo -69.73 164.51 34.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.23 93.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.801 HD23 ' HG2' ' A' ' 123' ' ' PRO . 1.8 pp -160.04 159.29 31.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.6 mp -53.57 84.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.1 mp0 -42.23 155.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.1 p -168.83 160.23 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.57 80.37 0.2 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -13.13 34.33 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.7 m -79.49 127.0 31.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 45.9 t -167.11 125.26 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -112.81 139.66 48.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 m -114.67 -61.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.22 162.61 31.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -63.42 -61.77 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m -121.62 42.31 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.65 -143.21 32.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.04 -39.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.365 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.2 t -57.71 125.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.3 mt -96.06 149.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -102.82 134.56 46.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.0 mt -118.69 163.79 16.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.538 HG22 ' H ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -122.88 171.16 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.538 ' H ' HG22 ' A' ' 13' ' ' THR . 0.5 OUTLIER -53.85 -31.8 50.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.813 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.02 -45.03 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -59.1 -32.92 70.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 30' ' ' VAL . 1.4 t80 -44.07 -47.43 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.922 ' HB2' HD12 ' A' ' 22' ' ' LEU . 1.2 p30 -76.64 -48.23 19.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -62.34 -12.25 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -106.03 -25.49 12.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.629 HG22 ' CB ' ' A' ' 28' ' ' TRP . 38.3 t -104.57 -62.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.922 HD12 ' HB2' ' A' ' 18' ' ' ASP . 53.5 mt -56.11 -43.82 78.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -79.15 9.07 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -122.18 115.03 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -64.91 -14.79 60.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.4 158.0 23.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.4 t -73.39 142.4 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.629 ' CB ' HG22 ' A' ' 21' ' ' VAL . 47.8 m95 -129.97 116.44 18.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.6 mtp -93.27 99.36 11.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 17' ' ' PHE . 60.4 t -85.33 127.89 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.565 ' OE2' HD21 ' A' ' 43' ' ' LEU . 9.0 tt0 -127.06 107.84 10.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -83.79 126.4 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.482 ' C ' ' CD1' ' A' ' 33' ' ' TYR . 3.7 p90 -135.96 169.07 18.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -123.12 133.41 24.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 0.0 111.094 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -9.85 27.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -117.42 13.76 14.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 53.7 t -112.14 129.56 56.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -56.8 -62.69 6.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.4 m170 -36.39 -41.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -62.64 -54.47 38.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -51.93 -31.24 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -80.64 -28.75 36.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' ' 46' ' ' GLU . 59.8 tp -83.59 -12.11 56.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 tt0 -52.8 -58.8 10.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.636 0.732 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.4 Cg_endo -69.76 -25.03 29.04 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.644 ' HB2' HD12 ' A' ' 43' ' ' LEU . 58.2 mm-40 -77.15 -31.3 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.521 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 56.7 t-105 -87.13 -42.5 12.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.46 -53.94 32.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.28 -52.71 52.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.833 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -42.17 -35.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.504 ' HA ' HD22 ' A' ' 64' ' ' LEU . . . -63.9 -44.72 92.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -69.37 -43.36 73.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.486 ' CG ' HG11 ' A' ' 109' ' ' VAL . 6.2 tp10 -65.91 -27.71 68.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 50' ' ' ALA . 84.6 t -87.4 -37.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 60' ' ' GLY . 8.3 tttm -68.71 -37.97 79.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -76.49 -35.34 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.463 ' HB3' HD21 ' A' ' 113' ' ' LEU . 71.4 mt-30 -77.4 -40.65 42.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 54' ' ' VAL . 19.6 p -88.2 6.04 38.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.15 26.32 16.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 92.07 -11.43 72.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.744 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 17.0 tptm -52.21 -67.57 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.341 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.43 ' HB ' HG21 ' A' ' 58' ' ' THR . 21.5 t -80.38 107.09 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.523 ' HE2' ' CH2' ' A' ' 28' ' ' TRP . 25.7 mtpt -95.58 150.81 19.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 51' ' ' ALA . 10.1 mp -116.41 132.26 56.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.89 163.56 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.2 153.99 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.0 t -136.92 136.77 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.02 101.59 14.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.94 -11.78 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.0 p -80.51 -16.44 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.0 t -119.94 -37.3 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -82.67 107.19 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -107.87 -33.81 7.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -53.24 -39.47 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 78' ' ' ARG . 17.4 mt -88.85 -55.35 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.73 -28.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -89.4 -35.09 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 75' ' ' LEU . 42.9 ttt85 -61.85 -45.05 95.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -99.1 -19.52 17.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.56 37.23 9.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.646 HD12 HG21 ' A' ' 86' ' ' THR . 25.2 mm -66.52 103.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -128.28 -29.88 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.43 99.33 1.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.554 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -96.74 153.92 38.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.876 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.79 166.57 73.78 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.344 -0.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.646 HG21 HD12 ' A' ' 81' ' ' ILE . 33.4 m -141.68 111.96 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.165 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.7 mt -102.76 124.19 56.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -135.19 136.01 41.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.51 HG21 HD13 ' A' ' 115' ' ' LEU . 4.9 mp -105.31 135.76 42.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 38.4 m-85 -124.4 129.76 51.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -120.34 141.9 49.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 22' ' ' LEU . 2.0 tppt? -71.82 118.76 15.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.56 -39.7 2.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -108.85 167.06 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.9 p -77.6 155.83 80.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.685 0.755 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.581 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.74 163.44 38.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.388 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 1.8 m -123.05 -179.17 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -122.64 106.39 10.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -70.98 117.57 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -134.23 116.71 15.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.62 -129.2 1.5 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -83.8 168.18 45.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.519 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.9 ttp-105 -119.44 50.55 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.833 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ARG . 72.6 p -137.2 137.26 38.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 109' ' ' VAL . 17.2 ptt85 -37.51 -36.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m -53.21 -59.02 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.35 -53.96 30.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.1 mt -46.99 -39.81 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.752 HG22 HG23 ' A' ' 54' ' ' VAL . 47.9 t -74.1 -47.23 42.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.5 t -45.3 -45.7 12.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 114' ' ' ASP . 13.2 tpp180 -65.25 -54.22 32.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.456 ' HB1' HG13 ' A' ' 54' ' ' VAL . . . -40.98 -37.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 57' ' ' GLN . 77.7 mt -75.04 -37.89 61.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 111' ' ' ARG . 2.0 m-20 -57.68 -27.4 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.51 HD13 HG21 ' A' ' 89' ' ' ILE . 9.8 mt -95.64 -43.71 7.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.76 ' CD1' ' HB3' ' A' ' 120' ' ' ALA . 10.4 t80 -48.49 -40.52 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.1 p -67.04 -38.5 85.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -43.01 89.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -91.65 -74.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.76 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . . . -67.3 151.56 97.02 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.436 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 53.3 Cg_endo -69.8 110.29 2.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 121' ' ' PRO . 53.5 Cg_endo -69.73 164.5 34.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.339 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 166.48 27.53 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.296 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -100.15 118.19 35.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.59 17.49 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 128' ' ' SER . 14.8 tp -141.14 115.07 9.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -50.49 -47.11 57.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.505 ' O ' HD23 ' A' ' 126' ' ' LEU . 35.4 t -89.52 137.87 31.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -127.25 -157.02 9.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.51 35.63 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.389 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 64.9 m -52.07 -51.25 58.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.4 t -112.1 153.33 27.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -72.79 109.72 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 m -83.24 163.0 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.01 -150.35 9.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 p -116.62 39.27 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -173.67 111.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.34 -130.08 2.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' CG ' ' HD3' ' A' ' 55' ' ' LYS . 29.5 t70 -83.21 -16.88 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 41.3 t -57.07 122.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.402 ' CD1' ' HE3' ' A' ' 63' ' ' LYS . 28.6 mt -95.08 150.75 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -109.48 127.93 54.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 20' ' ' ASN . 53.7 mt -119.75 172.09 7.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 p -133.1 -177.0 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.71 -30.46 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -101.96 -45.84 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -61.55 -30.97 71.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -47.07 -39.82 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.57 -44.84 10.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -62.29 -18.33 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.561 ' HB2' HD22 ' A' ' 12' ' ' LEU . 10.0 m120 -104.04 -22.53 13.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' PHE . 94.2 t -101.76 -64.78 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.43 -33.2 69.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -71.77 -1.11 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t -133.87 131.54 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -77.56 4.13 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.97 157.89 18.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.25 127.32 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -115.83 111.0 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.1 mtp -86.36 108.9 18.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 17' ' ' PHE . 57.3 t -93.73 125.94 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' CG ' HD21 ' A' ' 43' ' ' LEU . 4.0 tp10 -124.35 99.49 6.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -74.88 130.16 38.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.515 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 4.9 p90 -135.61 169.39 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -123.12 132.74 24.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.536 0.684 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -13.44 34.65 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.421 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.5 p-90 -115.29 17.17 16.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 13.7 t -118.23 120.44 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -50.24 -55.17 16.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' GLY . 35.8 m170 -37.41 -46.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.515 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -58.43 -51.51 69.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -48.53 45.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -68.23 -14.0 62.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD21 ' CG ' ' A' ' 31' ' ' GLU . 11.3 tp -94.69 -20.93 19.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.4 tt0 -46.98 -59.16 5.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.652 0.739 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.5 Cg_endo -69.79 -29.11 24.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -70.22 -33.4 71.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.474 ' CZ3' HG21 ' A' ' 108' ' ' ILE . 44.5 t-105 -86.33 -42.71 13.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -52.54 -43.83 65.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.55 -50.93 18.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -45.58 -46.97 14.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.41 -48.12 65.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 m -67.73 -42.79 81.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.503 ' HG3' HG11 ' A' ' 109' ' ' VAL . 7.3 tp10 -69.01 -25.14 64.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.998 HG23 HG22 ' A' ' 109' ' ' VAL . 54.8 t -84.69 -43.88 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.153 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HD3' ' CG ' ' A' ' 8' ' ' ASP . 5.9 pttp -69.64 -24.12 63.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.6 -30.56 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -89.72 -39.4 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.841 HG22 ' HB2' ' A' ' 116' ' ' PHE . 65.8 p -82.44 19.0 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm 51.28 25.58 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.01 21.12 58.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -86.81 -68.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.611 ' HB ' HG21 ' A' ' 58' ' ' THR . 48.6 t -74.92 103.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.402 ' HE3' ' CD1' ' A' ' 10' ' ' ILE . 16.7 mtpp -92.62 151.55 20.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mp -117.57 128.23 54.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.93 170.41 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.44 156.74 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -143.12 139.46 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 99.54 12.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.468 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -55.08 -15.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.421 HG21 ' NE1' ' A' ' 36' ' ' TRP . 41.1 p -78.22 -25.03 46.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -107.99 -37.14 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.2 108.2 14.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -106.06 -37.05 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.61 -42.09 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 17' ' ' PHE . 50.9 mt -80.87 -57.93 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -41.52 -41.7 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -75.45 -44.27 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -46.66 -54.0 10.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -96.67 -21.26 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 80.23 77.19 0.97 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.679 HD12 HG21 ' A' ' 86' ' ' THR . 2.1 mm -102.21 105.11 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.102 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -126.79 24.42 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.05 90.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.538 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -93.38 154.99 41.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.673 0.749 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.79 162.92 83.21 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.337 0.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.679 HG21 HD12 ' A' ' 81' ' ' ILE . 37.2 m -139.04 105.11 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.4 mt -95.11 118.97 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -128.14 146.79 50.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.538 HG21 HD13 ' A' ' 115' ' ' LEU . 5.4 mp -113.84 137.28 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 81.5 m-85 -123.5 120.8 33.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.581 ' OE1' HD22 ' A' ' 115' ' ' LEU . 33.2 mt-30 -118.06 122.63 43.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -46.47 136.91 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.79 -44.63 3.39 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -96.31 161.0 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.366 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 m -79.78 159.67 70.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.579 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.75 156.56 63.07 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.4 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 1.1 m -121.67 176.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.86 106.43 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.528 ' CE2' ' HA3' ' A' ' 101' ' ' GLY . 68.0 t80 -75.66 137.29 40.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -133.41 66.59 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.528 ' HA3' ' CE2' ' A' ' 99' ' ' TYR . . . -93.66 -152.49 29.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -108.65 26.51 15.86 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.474 ' CD ' ' HG3' ' A' ' 85' ' ' PRO . 16.7 ttp-105 49.02 38.63 12.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -134.58 133.21 39.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.529 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.7 ptt180 -43.1 -36.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 m -56.94 -44.95 83.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -81.38 -50.98 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.474 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 24.2 mt -48.36 -44.9 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.998 HG22 HG23 ' A' ' 54' ' ' VAL . 73.5 t -73.64 -45.94 49.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.8 t -51.86 -20.53 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -93.81 -54.69 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.2 -29.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.88 -43.93 91.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.74 -42.71 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.581 HD22 ' OE1' ' A' ' 91' ' ' GLN . 6.7 mt -75.96 -41.22 52.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.841 ' HB2' HG22 ' A' ' 58' ' ' THR . 16.1 t80 -37.89 -57.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.2 t -55.35 -55.4 32.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -39.69 -45.06 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -91.15 -75.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.669 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . . . -53.79 154.36 7.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 111.061 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 130.06 18.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.68 26.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.374 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.85 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -38.49 154.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 125' ' ' LEU . 1.4 tt -85.53 17.08 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.99 42.93 1.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -159.39 150.07 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.1 m -50.26 112.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 151.04 70.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.97 3.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.349 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 75.7 m 62.9 47.06 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.3 t -154.54 177.92 10.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 29.8 t70 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t -77.73 121.16 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -98.98 128.92 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -91.56 121.56 33.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.3 mt -117.75 151.99 36.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.0 p -100.87 -175.53 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -79.63 -7.25 58.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -110.87 -53.8 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' LYS . 4.1 p -65.02 -33.03 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.694 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -40.88 -39.88 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -82.4 -28.89 31.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' SER . 10.9 mmtp -81.78 -8.56 59.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -105.46 -41.07 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.458 HG22 ' CG ' ' A' ' 28' ' ' TRP . 75.8 t -84.85 -65.33 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.85 -30.22 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -81.92 8.36 10.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.3 t -137.03 139.71 41.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -92.51 34.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -123.26 157.81 32.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -71.18 125.11 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.562 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 49.5 m95 -117.43 111.55 19.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.8 mtt -85.3 99.76 11.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.694 HG21 ' CE2' ' A' ' 17' ' ' PHE . 97.4 t -89.73 119.07 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -118.4 121.8 41.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CE1' HG12 ' A' ' 30' ' ' VAL . 26.8 m-85 -96.6 126.19 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -129.62 165.62 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.66 132.42 24.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.561 0.696 . . . . 0.0 111.138 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.12 9.63 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.744 2.296 . . . . 0.0 112.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -125.7 23.23 7.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.5 t -124.39 136.36 54.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' CYS . . . -75.71 -55.61 4.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -40.33 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 38' ' ' GLY . 62.3 m -88.99 -47.7 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -32.37 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -75.97 -23.42 55.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 46' ' ' GLU . 10.4 tp -90.29 -24.61 20.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.4 tp10 -35.13 -59.74 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.7 -38.33 8.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HB2' HD12 ' A' ' 43' ' ' LEU . 19.9 mm-40 -57.39 -37.27 72.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.434 ' CE2' HD23 ' A' ' 64' ' ' LEU . 57.9 t-105 -75.83 -43.53 45.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.2 -55.77 21.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.93 67.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.579 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -48.62 -48.34 39.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.31 -46.07 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -69.36 -49.62 53.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.531 ' CG ' HG11 ' A' ' 109' ' ' VAL . 4.7 tp10 -60.85 -25.11 66.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.805 HG23 HG22 ' A' ' 109' ' ' VAL . 77.7 t -87.67 -43.71 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -64.31 -36.56 84.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -75.37 -34.33 61.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.656 ' HB3' HD21 ' A' ' 113' ' ' LEU . 26.4 mt-30 -79.6 -32.16 41.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.727 HG21 ' HB ' ' A' ' 62' ' ' VAL . 42.6 p -95.92 -0.1 51.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 27.83 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.41 -18.36 57.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -50.35 -57.35 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.727 ' HB ' HG21 ' A' ' 58' ' ' THR . 36.7 t -95.68 102.64 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 3.3 mtpm? -95.35 156.72 16.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.434 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.4 mp -123.28 129.31 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.19 166.75 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.35 148.02 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.17 152.74 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -101.81 98.67 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.425 ' CB ' ' CE1' ' A' ' 84' ' ' PHE . . . -53.34 -16.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.2 p -76.08 -28.28 57.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.6 t -107.27 -28.21 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -92.19 111.32 22.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -108.19 -39.08 5.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.8 t -53.15 -49.39 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 17' ' ' PHE . 21.3 mt -75.6 -56.57 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -43.03 -41.96 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t -75.05 -40.74 60.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -45.09 -51.0 10.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -105.01 -22.25 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 88.38 79.89 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.846 HD12 HG21 ' A' ' 86' ' ' THR . 7.1 mm -104.92 103.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.112 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -124.21 -19.96 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.84 95.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.608 ' CE1' HG22 ' A' ' 81' ' ' ILE . 1.2 m-85 -96.07 154.02 38.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 0.0 110.875 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.8 155.68 93.25 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.343 0.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.846 HG21 HD12 ' A' ' 81' ' ' ILE . 6.4 m -134.09 102.17 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 48.8 mt -90.43 124.55 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -132.05 137.78 47.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.503 HD11 ' HB2' ' A' ' 99' ' ' TYR . 4.6 mp -106.69 144.71 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.14 126.36 35.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -122.3 112.38 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -50.09 113.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.77 -47.61 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -115.58 159.9 20.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.0 p -61.2 146.97 87.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.24 57.64 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.74 2.293 . . . . 0.0 112.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 16.3 m -114.19 163.27 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -107.99 113.91 27.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.503 ' HB2' HD11 ' A' ' 89' ' ' ILE . 24.0 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' ARG . 64.8 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.783 0.325 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.579 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 18.5 ptt180 -34.47 -37.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' THR . 57.7 m -53.71 -50.05 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.7 m-20 -79.01 -51.21 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.1 mt -46.54 -44.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 54' ' ' VAL . 78.1 t -69.49 -46.79 75.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.5 t -46.38 -43.02 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -68.0 -56.95 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.65 -38.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 57' ' ' GLN . 80.8 mt -67.05 -46.29 74.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -51.32 -26.04 6.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 118' ' ' ASP . 38.9 mt -93.81 -45.84 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.502 ' HB2' HG22 ' A' ' 58' ' ' THR . 38.8 t80 -34.47 -50.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.6 t -59.84 -45.51 92.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.7 OUTLIER -48.66 -57.33 6.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.916 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.7 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.586 HG23 ' HA ' ' A' ' 48' ' ' ALA . 55.5 t -68.98 132.25 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.521 ' O ' ' HB1' ' A' ' 65' ' ' ALA . 79.4 mt -102.78 132.77 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.41 125.55 38.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD22 ' O ' ' A' ' 16' ' ' SER . 15.5 mt -117.45 159.95 21.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 82.8 p -118.75 -175.68 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.34 -29.67 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -100.44 -30.83 11.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.454 ' O ' HD22 ' A' ' 12' ' ' LEU . 25.0 m -92.81 16.62 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.682 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -101.29 -25.44 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -92.55 -54.18 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -64.07 -6.53 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -104.29 -32.85 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.519 HG22 ' CB ' ' A' ' 28' ' ' TRP . 72.5 t -97.34 -63.43 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.43 -55.99 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.21 -13.41 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -107.82 137.99 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -86.16 -4.53 59.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.39 153.13 21.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -71.28 132.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.519 ' CB ' HG22 ' A' ' 21' ' ' VAL . 54.2 m95 -121.38 117.85 27.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.5 mtt -93.46 104.52 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.682 HG21 ' CE2' ' A' ' 17' ' ' PHE . 61.9 t -90.35 124.26 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -123.84 103.78 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -77.41 127.94 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 1.9 p90 -141.37 163.27 33.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -122.34 139.35 30.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.42 18.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.595 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.3 p-90 -114.37 0.52 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.644 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 3.1 t -93.2 118.53 31.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.86 -28.86 64.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -69.63 -20.85 63.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' LEU . 89.7 m -96.24 -41.44 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -47.0 -31.05 2.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -73.7 -31.1 63.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.7 tp -83.5 -21.22 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.2 tt0 -37.65 -58.67 1.26 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.593 0.711 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.72 -42.3 3.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' OE2' HG22 ' A' ' 104' ' ' THR . 22.1 mt-10 -55.36 -34.55 64.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -78.49 -41.18 33.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.586 ' HA ' HG23 ' A' ' 9' ' ' VAL . . . -55.05 -47.53 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.21 -51.76 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -44.16 -40.8 5.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.44 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -68.91 -29.5 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.656 ' HG3' HG11 ' A' ' 109' ' ' VAL . 11.9 tp10 -79.5 -23.15 43.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.461 HG23 HG22 ' A' ' 109' ' ' VAL . 48.9 t -88.08 -42.72 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.7 pttm -69.72 -16.61 63.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -90.75 -35.97 14.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.668 ' HB3' HD21 ' A' ' 113' ' ' LEU . 36.1 mt-30 -84.62 -37.66 20.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.564 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 25.8 p -88.74 21.61 2.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp 53.39 31.13 11.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 74.35 18.1 79.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.489 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -77.56 -60.57 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.8 t -82.04 112.54 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -97.32 148.3 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mp -114.07 122.96 48.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 10' ' ' ILE . . . -123.21 161.54 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.13 151.44 49.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.505 HG13 ' ND2' ' A' ' 72' ' ' ASN . 98.3 t -140.51 153.45 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' N ' HG12 ' A' ' 67' ' ' VAL . 10.9 t0 -106.45 106.96 17.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.463 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -53.32 -15.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.409 HG21 ' HE1' ' A' ' 36' ' ' TRP . 42.1 p -76.99 -28.7 55.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.93 -31.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.63 ' OD1' HD12 ' A' ' 75' ' ' LEU . 2.9 m-80 -89.46 109.9 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -108.64 -35.47 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.62 -41.65 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.63 HD12 ' OD1' ' A' ' 72' ' ' ASN . 16.8 mt -80.36 -51.18 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.33 -25.67 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 t -90.27 -32.23 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -62.46 -41.5 98.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -108.76 -22.28 12.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.84 49.19 3.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.813 HD12 HG21 ' A' ' 86' ' ' THR . 28.0 mm -74.24 103.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 111.148 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -126.52 -27.13 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.57 98.74 1.9 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.579 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -99.93 154.02 37.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.75 163.0 82.93 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.343 -0.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.813 HG21 HD12 ' A' ' 81' ' ' ILE . 92.1 m -138.14 105.66 5.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.8 mt -97.63 115.19 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -127.88 134.48 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.494 HD12 ' N ' ' A' ' 89' ' ' ILE . 4.4 mp -103.56 134.62 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 91.4 m-85 -122.73 122.18 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -105.76 156.61 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -71.63 117.47 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.35 -39.1 2.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.47 156.55 32.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -74.76 143.46 78.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 0.0 110.817 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.57 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.0 Cg_endo -69.72 153.81 68.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.43 HG23 ' HB ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -120.67 175.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.88 108.34 13.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.455 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 41.9 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 106' ' ' SER . 60.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.776 0.322 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.808 ' O ' HG23 ' A' ' 109' ' ' VAL . 20.9 ptt180 -35.87 -33.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' THR . 26.1 m -56.71 -58.9 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.45 -56.15 16.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.4 mt -43.83 -42.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 105' ' ' ARG . 89.6 t -72.12 -46.31 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.5 t -49.6 -46.13 48.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.439 HH12 HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -66.52 -56.33 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.61 -35.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 57' ' ' GLN . 23.1 mt -64.59 -46.3 83.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -53.41 -45.0 69.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 89' ' ' ILE . 8.6 mt -73.87 -39.67 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.564 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 10.8 t80 -42.2 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -48.06 -56.66 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -44.13 -43.28 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.441 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 22.9 t70 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 2.4 t -61.62 114.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -92.12 151.51 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -113.76 129.25 56.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.405 HD22 ' HB2' ' A' ' 20' ' ' ASN . 13.1 mt -115.16 169.18 9.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 m -126.69 161.88 27.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -43.21 -44.9 5.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -95.12 -13.19 25.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -104.82 15.8 27.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.854 ' CE2' HG21 ' A' ' 30' ' ' VAL . 2.0 t80 -90.21 -35.5 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.469 ' HB3' HD12 ' A' ' 22' ' ' LEU . 16.6 m-20 -86.21 -50.83 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.22 -14.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.455 ' O ' ' NE1' ' A' ' 28' ' ' TRP . 6.9 m-80 -105.7 -26.97 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.815 HG22 ' CB ' ' A' ' 28' ' ' TRP . 52.4 t -103.04 -63.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 18' ' ' ASP . 16.3 mt -59.48 -59.78 4.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -14.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -105.7 127.87 53.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -74.83 -4.12 35.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.95 156.23 19.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.529 ' CG2' ' CG ' ' A' ' 119' ' ' ASN . 54.2 t -76.02 130.91 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.815 ' CB ' HG22 ' A' ' 21' ' ' VAL . 42.7 m95 -119.47 120.2 36.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 mtp -94.79 105.18 17.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.854 HG21 ' CE2' ' A' ' 17' ' ' PHE . 99.3 t -90.76 129.82 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -126.52 100.76 6.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.585 ' CB ' HG21 ' A' ' 81' ' ' ILE . 58.3 m-85 -74.59 112.34 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.1 p90 -116.73 168.02 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB2' ' HD2' ' A' ' 84' ' ' PHE . . . -123.01 132.52 24.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 70' ' ' THR . 53.5 Cg_endo -69.74 -3.96 13.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 -126.08 10.11 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 44.2 t -103.28 141.98 34.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -73.23 -57.95 4.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.462 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . 51.3 m-70 -36.35 -40.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -66.16 -57.2 8.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -40.39 -37.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -84.11 -29.86 26.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' CYS . 43.0 tp -79.63 -16.78 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 tt0 -50.68 -58.62 9.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.76 -25.34 28.69 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -75.77 -30.63 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -82.71 -37.61 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -60.25 -47.18 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.77 -47.66 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -53.28 -36.47 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 8' ' ' ASP . . . -59.32 -46.81 87.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -72.63 -34.09 67.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.537 ' HG2' HG21 ' A' ' 109' ' ' VAL . 9.2 tp10 -74.65 -27.48 60.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.647 HG23 HG22 ' A' ' 109' ' ' VAL . 55.7 t -83.46 -36.84 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -74.36 -18.76 60.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -89.47 -29.31 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.701 ' HB3' HD21 ' A' ' 113' ' ' LEU . 30.5 mt-30 -91.97 -27.65 17.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 54' ' ' VAL . 17.3 p -102.9 8.93 39.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.18 34.58 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.73 -6.18 66.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -53.86 -63.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.418 HG13 ' CG1' ' A' ' 27' ' ' VAL . 11.7 t -83.19 110.52 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 32.1 mttp -93.71 157.62 16.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -129.01 121.8 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.61 171.76 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.09 155.77 47.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.0 t -140.84 130.78 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.653 ' HB2' HG12 ' A' ' 71' ' ' VAL . 1.3 m-20 -80.0 104.5 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -60.96 -9.51 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 35.8 p -84.15 -25.26 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.143 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.653 HG12 ' HB2' ' A' ' 68' ' ' ASP . 8.5 p -112.64 -21.49 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.453 HD22 HG13 ' A' ' 71' ' ' VAL . 3.1 m-80 -96.9 112.78 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -114.65 -35.47 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.49 -38.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.515 HD13 ' CD2' ' A' ' 17' ' ' PHE . 13.2 mt -90.25 -52.41 4.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.23 -40.7 34.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.5 t -76.37 -20.86 56.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 47.0 ttt-85 -69.79 -44.4 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 10.7 m-85 -103.56 -19.06 14.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.9 38.17 7.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.848 HG22 ' HE1' ' A' ' 84' ' ' PHE . 37.3 mm -66.68 102.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -123.66 -31.21 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.11 101.4 2.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.848 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -98.69 153.97 37.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.909 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.76 164.16 79.97 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.381 0.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.589 HG21 HD12 ' A' ' 81' ' ' ILE . 3.6 m -141.52 105.25 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.7 mt -95.19 122.92 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -130.87 136.55 48.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.596 HG21 HD13 ' A' ' 115' ' ' LEU . 4.1 mp -105.4 137.39 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 79.0 m-85 -127.09 128.34 46.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -125.86 129.46 49.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.461 ' CE ' ' O ' ' A' ' 22' ' ' LEU . 17.4 tptp -56.7 127.07 29.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.48 -48.54 1.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.442 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -92.29 156.95 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 64.1 p -74.04 148.61 86.87 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.589 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.1 Cg_endo -69.71 146.11 59.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.87 172.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -111.91 114.29 27.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 19.4 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 106' ' ' SER . 74.4 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.611 ' O ' HG23 ' A' ' 109' ' ' VAL . 25.6 ptt-85 -35.4 -33.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' THR . 2.5 t -57.08 -57.66 11.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -68.21 -54.26 19.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.8 mt -44.01 -37.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.647 HG22 HG23 ' A' ' 54' ' ' VAL . 54.9 t -76.5 -46.72 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.9 t -46.31 -45.68 17.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 114' ' ' ASP . 12.8 tpp180 -62.47 -62.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -34.12 -39.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.701 HD21 ' HB3' ' A' ' 57' ' ' GLN . 31.2 mt -68.52 -48.42 64.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 111' ' ' ARG . 1.6 m-20 -48.39 -34.7 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.596 HD13 HG21 ' A' ' 89' ' ' ILE . 8.1 mt -87.57 -45.64 10.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.431 ' O ' ' C ' ' A' ' 117' ' ' SER . 16.5 t80 -44.29 -55.38 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' PHE . 68.5 m -34.48 -45.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 119' ' ' ASN . 15.9 t70 -84.81 -67.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.529 ' CG ' ' CG2' ' A' ' 27' ' ' VAL . 38.6 m-80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.9 129.39 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 28.9 mt -96.03 135.88 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -99.57 128.31 45.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD22 ' O ' ' A' ' 16' ' ' SER . 55.1 mt -121.23 163.51 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -126.81 178.69 5.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -58.94 -22.51 60.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.55 -23.73 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.497 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.3 t -99.98 17.35 21.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -100.38 -30.7 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -52.75 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -62.46 -8.99 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -105.72 -26.09 11.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.646 HG22 ' CG ' ' A' ' 28' ' ' TRP . 22.7 t -101.71 -57.35 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 21' ' ' VAL . 7.8 mt -64.41 -30.0 71.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -76.87 6.89 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -134.68 138.72 44.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -88.56 25.63 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.18 158.08 21.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.9 t -71.88 129.21 35.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.646 ' CG ' HG22 ' A' ' 21' ' ' VAL . 40.8 m95 -118.96 111.32 18.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.62 112.46 21.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.445 HG21 ' CE2' ' A' ' 17' ' ' PHE . 58.5 t -101.12 110.61 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 86' ' ' THR . 4.7 tp10 -109.29 104.62 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -74.62 124.73 27.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.529 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 1.5 p90 -135.67 162.73 31.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.09 138.64 30.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.636 0.731 . . . . 0.0 111.074 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -14.53 36.19 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.311 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.482 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.3 p-90 -110.63 7.37 22.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 42.2 t -103.42 127.11 50.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.26 -56.69 23.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.476 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . 24.2 m80 -38.83 -41.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -67.1 -52.96 35.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -45.55 -44.41 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -76.5 -29.26 56.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -79.6 -19.35 49.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tt0 -41.87 -58.42 3.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.683 0.754 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.75 -43.76 2.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.55 -31.49 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -87.08 -32.76 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.72 -50.23 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.4 76.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.703 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -51.31 -43.05 61.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -38.47 70.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -78.01 -41.8 34.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' HB3' HG21 ' A' ' 109' ' ' VAL . 6.8 tp10 -67.29 -24.84 65.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.971 HG23 HG22 ' A' ' 109' ' ' VAL . 42.1 t -85.35 -48.13 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -65.0 -20.9 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.14 -30.17 22.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.781 ' HB3' HD21 ' A' ' 113' ' ' LEU . 31.5 mt-30 -89.83 -26.58 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 116' ' ' PHE . 48.1 p -99.26 5.15 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 61.84 27.42 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.16 -13.81 66.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 119' ' ' ASN . 0.1 OUTLIER -50.54 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.419 ' HB ' HG21 ' A' ' 58' ' ' THR . 42.1 t -79.97 106.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HE2' ' CZ2' ' A' ' 28' ' ' TRP . 17.0 mtpp -95.55 154.45 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -122.93 121.78 36.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . . . -126.6 152.98 45.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.71 156.55 25.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.1 t -143.97 137.9 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.509 ' CG ' ' HG1' ' A' ' 70' ' ' THR . 53.5 t0 -89.08 106.57 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.31 -11.78 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.509 ' HG1' ' CG ' ' A' ' 68' ' ' ASP . 30.4 p -84.67 -20.85 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.7 t -110.79 -35.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -90.15 109.36 20.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -106.87 -39.44 5.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.5 t -54.85 -40.98 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 17' ' ' PHE . 5.4 mt -83.24 -48.83 10.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.89 -40.89 44.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.3 t -78.11 -39.06 42.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -49.43 -51.94 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -100.52 -18.86 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.43 80.74 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.507 HG22 ' CE1' ' A' ' 84' ' ' PHE . 13.2 mm -109.11 107.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -124.8 -24.89 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.32 98.5 1.37 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -98.22 154.19 37.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.861 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.71 162.23 84.42 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.357 -0.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.486 HG21 HD12 ' A' ' 81' ' ' ILE . 2.5 m -138.16 108.08 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 mt -98.43 121.7 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -133.22 130.11 38.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.493 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 3.6 mp -92.09 140.24 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -125.59 106.61 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -93.81 163.72 13.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -92.08 110.28 21.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.61 -43.61 1.66 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -98.35 158.5 15.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 p -68.24 151.08 97.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.7 57.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.493 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 15.6 m -103.5 172.81 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -113.25 112.02 23.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.3 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.809 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 106' ' ' SER . 44.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.811 0.339 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.703 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 28.9 ptt180 -34.63 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 104' ' ' THR . 4.8 t -56.1 -57.63 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -70.82 -51.67 25.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.6 mt -47.37 -37.85 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.971 HG22 HG23 ' A' ' 54' ' ' VAL . 36.0 t -78.77 -47.22 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 t -49.07 -34.27 13.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -74.32 -51.64 14.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.81 -37.35 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' A' ' 57' ' ' GLN . 65.9 mt -65.47 -53.38 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -43.93 -35.89 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.0 mt -88.24 -42.07 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.592 ' HB2' HG22 ' A' ' 58' ' ' THR . 22.5 t80 -42.79 -35.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.3 t -74.35 -50.33 19.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -44.02 -46.57 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 41.1 t -78.98 125.85 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.4 mt -97.1 143.24 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -101.93 136.72 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -120.98 173.63 7.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.602 HG22 ' H ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -128.85 173.23 10.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.602 ' H ' HG22 ' A' ' 13' ' ' THR . 4.5 p-10 -65.57 -12.24 51.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -116.91 -44.14 2.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.415 ' HB3' ' ND2' ' A' ' 20' ' ' ASN . 12.9 m -72.23 -23.13 61.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CE2' HG21 ' A' ' 30' ' ' VAL . 1.3 t80 -44.41 -40.84 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -36.54 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 22.4 mmmt -63.61 -18.07 63.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 16' ' ' SER . 13.4 m-80 -105.89 -34.83 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 17' ' ' PHE . 83.0 t -83.63 -64.93 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.49 -37.35 78.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 19' ' ' LYS . 31.1 t0 -65.95 -4.81 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -125.81 134.45 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -84.59 28.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -118.48 158.03 26.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.532 ' CG2' ' ND2' ' A' ' 119' ' ' ASN . 39.7 t -71.0 126.5 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' HB2' HG13 ' A' ' 21' ' ' VAL . 34.6 m95 -116.31 111.12 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 mtp -82.86 102.02 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.595 HG21 ' CE2' ' A' ' 17' ' ' PHE . 20.6 t -91.9 122.5 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -120.73 127.66 52.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.483 ' CB ' HG21 ' A' ' 81' ' ' ILE . 25.7 m-85 -98.69 122.2 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 4.6 p90 -129.98 169.92 14.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -123.12 130.71 24.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.523 0.678 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.68 19.17 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -121.99 16.28 10.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 20.2 t -117.0 123.91 48.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.33 -34.59 85.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -54.14 -20.37 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -95.68 -51.5 4.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -42.41 -29.56 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.33 -29.53 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' CYS . 9.9 tp -80.51 -23.99 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tp10 -35.94 -59.98 0.72 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.693 0.759 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.2 Cg_endo -69.78 -38.79 7.28 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.319 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' OE2' HG22 ' A' ' 104' ' ' THR . 5.4 mm-40 -58.35 -31.68 67.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.435 ' HE3' HD13 ' A' ' 108' ' ' ILE . 60.1 t-105 -85.05 -38.45 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -58.89 -57.61 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.68 -52.23 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.821 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -47.99 -38.52 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.1 86.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -68.09 -42.6 80.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.476 ' CG ' HG11 ' A' ' 109' ' ' VAL . 8.6 tp10 -66.0 -31.26 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.833 HG23 HG22 ' A' ' 109' ' ' VAL . 97.6 t -80.67 -39.19 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -68.44 -34.3 75.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.93 -30.51 61.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -84.38 -56.22 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.568 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 19.9 p -73.8 3.93 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm 62.1 31.23 17.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.02 -11.59 66.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -68.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 112' ' ' ALA . 38.3 t -77.87 103.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -88.96 152.15 21.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.48 125.29 47.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.88 164.34 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.26 161.02 27.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.7 t -143.31 141.85 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.0 103.17 15.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.83 -12.05 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.0 p -83.95 -14.39 51.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.4 t -119.33 -35.93 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -86.98 109.51 19.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -106.1 -39.24 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -53.59 -50.34 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.28 -50.11 23.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.05 -35.1 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -84.33 -26.66 28.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.454 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 18.2 ttt85 -64.08 -41.78 97.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 39.6 m-85 -111.24 -22.52 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.33 75.13 1.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.658 HG22 ' CE1' ' A' ' 84' ' ' PHE . 21.1 mm -99.87 102.23 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -124.86 -29.11 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.38 101.18 1.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.658 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -98.95 153.91 37.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.901 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.4 Cg_endo -69.85 163.95 80.73 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.346 0.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.605 HG21 HD12 ' A' ' 81' ' ' ILE . 38.3 m -140.87 106.55 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 mt -97.0 126.8 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -132.24 139.89 48.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.8 mp -106.9 137.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 3.1 m-85 -126.69 134.32 50.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.486 HE22 HD22 ' A' ' 115' ' ' LEU . 63.9 mt-30 -132.45 128.76 38.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -50.15 145.24 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.88 12.98 16.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -139.93 161.32 37.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.5 p -86.73 146.36 41.08 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.407 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.78 141.66 45.76 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 6.6 m -108.51 161.11 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 1.6 p-10 -103.65 111.7 24.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.858 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.417 HG22 ' OE2' ' A' ' 46' ' ' GLU . 75.0 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.578 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 21.4 ptt180 -38.6 -35.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.2 m -53.42 -57.94 8.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -72.68 -52.16 16.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.435 HD13 ' HE3' ' A' ' 47' ' ' TRP . 62.7 mt -43.7 -39.27 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.833 HG22 HG23 ' A' ' 54' ' ' VAL . 41.5 t -76.75 -48.05 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.8 t -48.11 -42.82 30.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -63.84 -62.5 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.513 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -41.05 -32.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.93 -48.17 66.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -51.09 -40.62 58.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.486 HD22 HE22 ' A' ' 91' ' ' GLN . 25.4 mt -77.44 -47.96 18.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 29.5 t80 -45.64 -38.2 6.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.9 p -52.94 -42.08 65.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -80.53 -57.87 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.532 ' ND2' ' CG2' ' A' ' 27' ' ' VAL . 17.8 m-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 27.2 t70 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.348 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 t -78.91 127.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -103.12 144.04 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -104.3 120.57 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 20' ' ' ASN . 79.2 mt -104.6 172.98 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 14' ' ' ASP . 2.3 m -129.73 170.11 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.571 ' H ' HG22 ' A' ' 13' ' ' THR . 3.3 p30 -55.72 -27.03 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -109.2 -43.98 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -59.61 -34.07 72.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.794 ' HE2' HG21 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -50.79 -19.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -86.19 -56.06 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -71.65 -3.05 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.518 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 4.1 m-80 -104.85 -33.26 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 ' CB ' ' A' ' 28' ' ' TRP . 64.1 t -104.54 -60.08 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.81 -56.56 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.38 -10.31 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -107.22 107.76 18.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -56.54 -15.13 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.85 158.06 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.414 ' HB ' HG13 ' A' ' 62' ' ' VAL . 58.9 t -75.36 137.64 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.586 ' CB ' HG22 ' A' ' 21' ' ' VAL . 24.7 m95 -124.69 117.71 24.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.7 mtp -94.23 104.73 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.794 HG21 ' HE2' ' A' ' 17' ' ' PHE . 64.9 t -90.15 127.55 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.567 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 6.4 tp10 -123.19 98.01 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -70.56 125.85 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 4.7 p90 -133.9 166.86 21.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.18 130.33 24.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -11.26 30.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -115.76 17.39 16.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 t -121.65 138.66 54.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' CYS . . . -68.25 -48.0 55.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -43.47 -22.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -91.39 -47.93 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -50.8 -33.14 22.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.26 -25.84 29.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 46' ' ' GLU . 22.0 tp -82.12 -19.13 40.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 5.0 tp10 -41.87 -60.26 2.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.7 -37.63 9.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.382 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' HB2' HD12 ' A' ' 43' ' ' LEU . 69.4 mt-10 -60.48 -32.51 71.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 52.8 t-105 -86.76 -41.21 14.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.91 -53.78 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -50.29 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.678 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -44.69 -53.36 7.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.89 -39.58 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -73.3 -35.23 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.572 ' HB3' HG21 ' A' ' 109' ' ' VAL . 14.5 tp10 -77.86 -24.04 48.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.921 HG23 HG22 ' A' ' 109' ' ' VAL . 55.2 t -80.3 -41.48 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -74.68 -25.26 59.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.08 -25.0 43.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.594 ' HB3' HD21 ' A' ' 113' ' ' LEU . 32.5 mt-30 -98.86 -37.58 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 54' ' ' VAL . 9.1 p -86.15 11.26 12.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt 60.77 25.13 14.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.79 -1.55 85.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -61.21 -74.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.414 HG13 ' HB ' ' A' ' 27' ' ' VAL . 3.7 t -70.12 108.61 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -95.09 154.33 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -121.12 120.23 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.93 165.0 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.98 154.61 42.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.523 HG23 HG13 ' A' ' 30' ' ' VAL . 60.4 t -135.3 138.5 48.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -90.6 94.66 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.51 -15.49 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.7 p -76.44 -27.5 56.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.7 -38.33 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.2 108.88 16.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -105.67 -37.58 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.32 -47.48 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.72 -56.58 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.76 -44.91 28.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.8 t -72.59 -26.68 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -67.41 -43.86 80.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -101.7 -15.64 16.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 78.69 53.83 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.77 HD12 HG21 ' A' ' 86' ' ' THR . 22.6 mm -84.97 102.87 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 111.149 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.68 -23.09 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.11 102.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.686 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -101.04 153.98 37.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.79 166.09 75.05 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.304 0.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.77 HG21 HD12 ' A' ' 81' ' ' ILE . 33.0 m -141.88 106.87 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.3 mt -98.04 113.2 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -123.99 143.58 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.438 ' HB ' HG23 ' A' ' 97' ' ' VAL . 4.1 mp -106.02 143.96 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 29.0 m-85 -133.53 131.31 39.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -123.21 162.36 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.93 139.19 37.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 60.72 15.88 43.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -136.79 176.43 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.377 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -100.48 150.32 36.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.686 0.755 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.503 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.4 Cg_endo -69.82 146.11 58.83 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.438 HG23 ' HB ' ' A' ' 89' ' ' ILE . 4.0 m -119.63 166.38 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.17 117.35 32.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.827 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ARG . 24.6 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.778 0.323 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.678 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.3 ptt180 -37.09 -37.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.6 m -55.34 -55.58 29.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -70.72 -54.02 13.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.442 HD13 ' CE3' ' A' ' 47' ' ' TRP . 49.4 mt -45.22 -43.09 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.921 HG22 HG23 ' A' ' 54' ' ' VAL . 78.6 t -77.64 -47.27 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.0 t -47.99 -35.03 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -47.32 16.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.99 -40.25 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 57' ' ' GLN . 19.3 mt -57.66 -40.69 79.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.5 -41.82 77.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.6 -33.79 62.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.496 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 46.3 t80 -48.62 -67.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' ASP . 71.2 m -49.4 -52.99 24.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' SER . 5.3 m-20 -36.28 -45.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -68.03 142.63 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.406 ' CD1' ' NZ ' ' A' ' 63' ' ' LYS . 77.7 mt -113.38 135.74 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -97.54 128.62 44.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.423 HD22 ' O ' ' A' ' 16' ' ' SER . 38.2 mt -119.78 166.16 13.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.56 HG22 ' N ' ' A' ' 14' ' ' ASP . 10.5 m -128.43 166.55 18.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.191 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.56 ' N ' HG22 ' A' ' 13' ' ' THR . 1.3 p-10 -46.19 -35.92 5.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -100.43 -31.46 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' HD22 ' A' ' 12' ' ' LEU . 9.2 t -89.22 15.24 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.62 -29.31 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.6 -44.6 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -72.77 -6.92 47.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -103.39 -33.0 9.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.639 HG22 ' CG ' ' A' ' 28' ' ' TRP . 61.5 t -99.73 -57.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.86 -35.46 74.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.87 0.52 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 t -125.48 142.2 51.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -94.23 30.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.41 157.79 25.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.584 HG23 ' NZ ' ' A' ' 61' ' ' LYS . 57.4 t -71.67 123.37 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.639 ' CG ' HG22 ' A' ' 21' ' ' VAL . 49.4 m95 -114.19 111.11 21.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.3 mtp -88.02 99.05 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.551 HG21 ' CE2' ' A' ' 17' ' ' PHE . 86.1 t -89.77 119.84 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' CD ' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -115.1 106.52 14.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CG ' HG21 ' A' ' 81' ' ' ILE . 25.5 m-85 -77.52 135.53 38.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.6 p90 -144.01 163.95 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -122.11 138.15 28.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.96 22.38 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -120.58 19.94 11.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 14.7 t -116.29 121.5 42.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.68 -43.88 73.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -51.57 -19.25 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 67.3 m -96.11 -47.1 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -48.36 -33.1 8.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -76.66 -27.55 55.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 46' ' ' GLU . 10.8 tp -84.74 -19.99 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 tt0 -38.73 -58.57 1.61 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.611 0.719 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.78 -32.14 19.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.761 ' OE2' HG22 ' A' ' 104' ' ' THR . 63.6 mt-10 -66.91 -28.01 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.528 ' CE3' HD13 ' A' ' 108' ' ' ILE . 64.6 t-105 -87.23 -39.39 15.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.91 -60.84 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.1 -53.84 37.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.892 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -44.69 -52.8 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.54 -33.35 6.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -80.39 -46.2 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.539 ' HG3' HG11 ' A' ' 109' ' ' VAL . 7.0 tp10 -67.02 -22.11 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.649 HG23 HG22 ' A' ' 109' ' ' VAL . 54.8 t -86.27 -43.45 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -68.99 -21.79 64.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -82.87 -40.96 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.639 ' HB3' HD21 ' A' ' 113' ' ' LEU . 36.6 mt-30 -78.62 -43.7 25.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 54' ' ' VAL . 8.5 p -82.41 9.84 8.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt 56.43 26.16 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.49 -7.68 79.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.584 ' NZ ' HG23 ' A' ' 27' ' ' VAL . 25.2 tptp -52.34 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 t -82.61 104.9 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 3.2 mtpm? -91.46 154.99 18.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mp -121.4 129.85 53.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.93 162.99 31.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.45 168.95 12.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.412 HG13 ' ND2' ' A' ' 72' ' ' ASN . 99.3 t -154.51 139.72 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.02 99.83 12.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.5 -18.06 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 64.3 p -71.55 -27.51 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.2 t -110.04 -29.03 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.412 ' ND2' HG13 ' A' ' 67' ' ' VAL . 5.8 m-80 -88.33 107.27 18.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -108.49 -33.35 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.3 -39.98 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' A' ' 17' ' ' PHE . 11.3 mt -85.84 -55.14 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.99 -27.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -85.01 -39.7 17.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.0 ttt-85 -54.19 -47.99 71.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 88' ' ' LYS . 2.8 m-85 -100.34 -21.54 15.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.76 40.09 8.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.707 HD12 HG21 ' A' ' 86' ' ' THR . 23.9 mm -64.53 104.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.777 0.322 . . . . 0.0 111.166 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -129.57 -30.46 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.84 93.81 1.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -94.18 153.99 40.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.76 153.65 93.03 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.374 0.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.707 HG21 HD12 ' A' ' 81' ' ' ILE . 32.2 m -132.35 123.86 27.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.1 mt -116.87 134.56 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 79' ' ' TYR . 15.3 mmtp -140.22 136.23 33.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.532 HD12 ' N ' ' A' ' 89' ' ' ILE . 4.0 mp -101.56 134.04 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -118.95 114.52 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -110.67 115.84 30.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -56.95 111.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.92 -46.27 1.09 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -120.87 171.25 8.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 p -61.2 155.48 56.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 176.2 7.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 98' ' ' ASP . 39.8 t -131.16 160.48 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.533 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 6.0 p-10 -116.09 105.73 12.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.523 ' HB2' HD11 ' A' ' 89' ' ' ILE . 49.8 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.761 HG22 ' OE2' ' A' ' 46' ' ' GLU . 74.7 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.795 0.331 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.892 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 19.1 ptt180 -37.81 -33.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.4 m -69.42 -45.12 69.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.3 m-20 -78.57 -52.26 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.528 HD13 ' CE3' ' A' ' 47' ' ' TRP . 41.3 mt -48.62 -46.76 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 105' ' ' ARG . 76.3 t -64.7 -46.27 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -56.34 -26.63 53.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -85.62 -58.47 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.01 -42.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 57' ' ' GLN . 77.0 mt -57.72 -47.75 81.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -44.63 -46.89 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 89' ' ' ILE . 15.9 mt -72.64 -46.22 55.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -39.37 -55.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.2 p -54.0 -41.31 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -58.67 -64.2 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.4 t -57.43 110.33 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.5 mt -91.7 141.43 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.174 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -103.24 137.21 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.438 HD21 ' CZ3' ' A' ' 28' ' ' TRP . 14.5 mt -120.4 163.12 18.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 14' ' ' ASP . 1.4 m -125.55 164.46 20.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' H ' HG22 ' A' ' 13' ' ' THR . 0.6 OUTLIER -40.74 -38.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -101.58 -20.16 15.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -95.63 16.01 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.574 ' HE2' HG21 ' A' ' 30' ' ' VAL . 1.9 t80 -96.39 -34.5 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -91.2 -53.31 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -55.23 -15.27 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.483 ' ND2' ' HD2' ' A' ' 19' ' ' LYS . 45.4 m-80 -103.45 -24.3 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.514 HG22 ' CG ' ' A' ' 28' ' ' TRP . 80.7 t -104.48 -63.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.53 -48.07 83.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -76.98 7.69 4.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -122.79 129.19 51.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.46 34.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.466 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -125.31 158.26 34.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -81.0 123.28 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.514 ' CG ' HG22 ' A' ' 21' ' ' VAL . 72.3 m95 -114.19 116.12 28.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.3 mtp -94.01 99.07 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.574 HG21 ' HE2' ' A' ' 17' ' ' PHE . 90.2 t -82.57 125.78 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.705 ' OE2' HD21 ' A' ' 43' ' ' LEU . 7.8 tt0 -123.32 92.48 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CG ' HG21 ' A' ' 81' ' ' ILE . 55.0 m-85 -63.53 128.65 36.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.3 p90 -140.11 164.35 30.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.04 135.97 26.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -12.88 33.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -114.91 13.2 17.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 23.9 t -111.09 108.52 18.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.69 -48.58 7.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -41.25 -50.69 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.4 t -56.56 -55.55 32.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -43.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -75.28 -28.57 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.705 HD21 ' OE2' ' A' ' 31' ' ' GLU . 50.3 tp -80.45 -22.17 41.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.513 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.3 tt0 -45.92 -59.5 4.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.684 0.754 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.78 -30.99 21.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.82 -28.4 66.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.511 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 53.1 t-105 -89.39 -40.96 12.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.53 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.63 75.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -53.19 -45.03 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -45.16 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -70.57 -34.4 72.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.568 ' HG3' HG11 ' A' ' 109' ' ' VAL . 6.5 tp10 -76.17 -24.54 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 50' ' ' ALA . 87.7 t -85.1 -38.75 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -73.04 -30.83 64.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -75.92 -29.53 58.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.577 ' HB3' HD21 ' A' ' 113' ' ' LEU . 34.2 mt-30 -89.47 -41.9 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.499 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 39.8 p -84.23 21.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 47.71 29.41 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.11 28.81 55.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' O ' ' OD2' ' A' ' 26' ' ' ASP . 25.7 tptt -92.27 -44.56 8.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.6 t -96.64 113.61 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -97.81 148.95 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.483 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.0 mp -117.32 119.35 34.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.28 164.85 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.97 149.53 52.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.3 t -140.87 149.89 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.661 ' HB3' HG12 ' A' ' 71' ' ' VAL . 22.0 t0 -102.16 111.01 23.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . . . -61.02 -8.91 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -82.87 -29.3 29.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.661 HG12 ' HB3' ' A' ' 68' ' ' ASP . 7.5 p -107.5 -27.92 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.572 HD22 HG13 ' A' ' 71' ' ' VAL . 5.8 m-80 -95.38 112.79 24.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -111.09 -40.36 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -53.67 -37.7 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.08 -47.92 9.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.478 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -50.09 -43.28 51.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -75.33 -42.52 54.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -43.58 -51.3 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -105.14 -22.7 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 88.98 81.91 1.3 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.454 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.558 HD12 HG21 ' A' ' 86' ' ' THR . 28.3 mm -109.16 99.87 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -123.57 -19.73 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.17 98.13 1.07 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -96.56 153.88 38.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.726 . . . . 0.0 110.89 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.73 161.27 86.43 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.326 -0.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.558 HG21 HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -137.84 112.69 8.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -106.14 124.98 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -136.0 139.16 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.635 ' HB ' HG12 ' A' ' 97' ' ' VAL . 5.1 mp -103.33 137.9 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 96' ' ' PRO . 97.9 m-85 -125.81 107.67 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -93.96 128.97 40.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -61.0 115.81 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.415 ' N ' ' HD2' ' A' ' 92' ' ' LYS . . . 101.71 -38.9 2.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -96.42 176.45 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m -85.69 155.27 59.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.468 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.73 175.12 8.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.635 HG12 ' HB ' ' A' ' 89' ' ' ILE . 8.1 p -144.73 167.49 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.581 ' N ' HG22 ' A' ' 97' ' ' VAL . 6.4 p-10 -110.1 106.1 15.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.809 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ARG . 65.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.799 0.333 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 109' ' ' VAL . 14.6 ptt85 -36.41 -37.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 m -49.82 -58.71 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -67.84 -54.56 18.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.8 mt -43.74 -40.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 105' ' ' ARG . 82.9 t -73.27 -47.92 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.3 t -45.45 -47.15 13.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 114' ' ' ASP . 5.5 tpp85 -63.17 -59.55 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 54' ' ' VAL . . . -36.89 -37.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 57' ' ' GLN . 78.4 mt -70.56 -42.58 70.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 111' ' ' ARG . 7.4 m-20 -51.82 -38.67 56.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.9 mt -83.62 -38.79 21.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.499 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 31.3 t80 -53.99 -30.98 49.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.3 p -86.34 15.68 5.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.97 -30.94 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.902 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 10.4 t70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.16 119.68 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.8 mt -101.88 133.2 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -91.94 129.92 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.852 HD22 ' CG ' ' A' ' 20' ' ' ASN . 29.8 mt -112.21 177.32 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.625 HG22 ' H ' ' A' ' 14' ' ' ASP . 1.1 m -133.4 173.15 11.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 13' ' ' THR . 0.7 OUTLIER -57.14 -64.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -85.95 24.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 24.9 m -126.75 -29.99 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.726 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -50.45 -23.64 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.593 ' HB3' HD12 ' A' ' 22' ' ' LEU . 57.3 m-20 -95.99 -19.21 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 6.9 ptmt -91.11 -11.72 37.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.852 ' CG ' HD22 ' A' ' 12' ' ' LEU . 2.9 p30 -106.29 -33.4 7.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.52 -66.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD12 ' HB3' ' A' ' 18' ' ' ASP . 20.2 mt -53.82 -46.93 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -54.18 -14.88 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -121.83 137.69 54.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.03 28.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.5 158.11 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.407 ' HB ' HG13 ' A' ' 62' ' ' VAL . 59.2 t -71.2 123.45 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -113.96 110.96 20.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.7 mtp -84.1 99.67 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.726 HG21 ' CE2' ' A' ' 17' ' ' PHE . 66.2 t -89.68 124.2 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' OE2' ' C ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -123.66 126.2 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -97.59 121.8 39.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 7.2 p90 -127.65 169.84 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.1 131.59 24.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -10.33 28.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -118.76 19.12 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 13.9 t -116.36 142.62 46.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -69.96 -57.66 6.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' GLY . 87.1 m-70 -34.42 -48.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.7 t -59.71 -56.11 25.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -40.93 -33.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -86.02 -30.64 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' CYS . 32.5 tp -80.15 -14.18 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.2 tt0 -53.41 -60.06 7.89 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.645 0.736 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.0 Cg_endo -69.76 -28.99 24.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.49 -38.61 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -77.17 -42.44 37.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.53 80.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.19 -54.73 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -45.18 -47.74 12.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' A' ' 8' ' ' ASP . . . -47.47 -43.38 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -69.83 -45.59 67.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.514 ' HG3' HG11 ' A' ' 109' ' ' VAL . 5.5 tp10 -66.14 -24.62 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.7 HG23 HG22 ' A' ' 109' ' ' VAL . 94.3 t -84.61 -39.99 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -65.25 -36.27 83.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.536 ' NE2' HD21 ' A' ' 113' ' ' LEU . 27.9 mt-30 -79.84 -35.94 37.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.563 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 30.4 p -96.98 1.41 50.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 61.95 29.75 17.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.45 -7.31 82.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -57.36 12.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.407 HG13 ' HB ' ' A' ' 27' ' ' VAL . 18.4 t -93.17 102.09 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -89.39 158.64 17.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mp -121.82 124.39 44.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.86 156.64 39.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.87 157.67 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.3 t -142.96 142.1 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.56 98.88 11.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.81 -14.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 p -76.09 -25.72 55.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.6 t -111.87 -36.97 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -82.29 108.4 15.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -107.56 -36.9 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.04 -41.32 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.43 -52.94 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.11 -43.37 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -73.18 -39.22 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -50.26 -49.38 53.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -100.96 -20.42 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 82.22 72.06 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.64 HD12 HG21 ' A' ' 86' ' ' THR . 3.5 mm -104.25 114.37 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -131.03 -31.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.25 94.83 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.54 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -93.82 154.65 40.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.89 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.73 160.86 87.24 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.383 -0.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.64 HG21 HD12 ' A' ' 81' ' ' ILE . 41.5 m -139.88 108.46 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 18.2 mt -98.69 124.22 51.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -131.81 131.37 42.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.626 HG21 HD13 ' A' ' 115' ' ' LEU . 4.4 mp -97.97 134.65 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 69.3 m-85 -118.16 129.42 55.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -119.01 139.04 52.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -63.88 111.37 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.98 -50.85 0.88 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -84.52 162.41 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.7 p -76.95 152.76 82.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.448 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.76 137.61 35.86 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.485 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 14.8 m -100.02 158.41 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.07 114.92 27.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.483 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 20.1 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 48.3 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 109' ' ' VAL . 21.4 ptt180 -40.16 -39.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 t -50.14 -61.19 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.92 -55.51 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.5 mt -42.95 -43.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.7 HG22 HG23 ' A' ' 54' ' ' VAL . 72.2 t -70.94 -49.3 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.2 t -43.25 -47.21 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -60.86 -60.79 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.44 -34.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.536 HD21 ' NE2' ' A' ' 57' ' ' GLN . 71.4 mt -69.36 -53.55 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -46.2 -36.97 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.626 HD13 HG21 ' A' ' 89' ' ' ILE . 13.7 mt -86.33 -42.84 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.563 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 12.7 t80 -43.94 -32.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -73.31 -47.02 46.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -47.95 -44.62 30.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.96 120.49 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -92.73 139.64 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -97.48 129.27 44.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 mt -123.78 162.46 23.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.3 p -119.03 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -63.3 -20.51 65.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -107.29 -49.86 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -60.39 -25.64 66.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.799 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.809 ' HE2' HG21 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -58.78 -15.78 13.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -90.54 -49.95 6.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.2 OUTLIER -73.67 -6.55 47.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.497 ' O ' ' NE1' ' A' ' 28' ' ' TRP . 8.2 m-80 -103.69 -31.37 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 28' ' ' TRP . 76.6 t -104.96 -62.71 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.39 -61.44 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.43 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 11.1 t70 -56.32 -14.07 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 t -98.95 133.91 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -90.53 27.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -123.83 158.07 32.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.06 125.56 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.561 ' CB ' HG22 ' A' ' 21' ' ' VAL . 47.5 m95 -117.26 117.65 30.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.64 113.7 25.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.809 HG21 ' HE2' ' A' ' 17' ' ' PHE . 60.2 t -102.16 111.64 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.453 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 8.7 tm-20 -108.25 93.1 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.468 ' CG ' HG21 ' A' ' 81' ' ' ILE . 64.3 m-85 -62.7 117.07 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.8 p90 -124.63 164.63 19.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.24 135.09 25.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -10.3 28.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.393 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -120.02 17.08 12.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 13.0 t -114.2 114.01 25.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.843 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -46.92 -55.01 8.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 38' ' ' GLY . 28.4 m170 -34.64 -53.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -54.63 -56.73 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -43.01 -42.85 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -74.99 -25.44 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.697 HD12 ' HB2' ' A' ' 46' ' ' GLU . 28.9 tp -86.34 -17.35 34.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.8 tt0 -42.3 -58.34 3.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.74 -41.08 4.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.39 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.697 ' HB2' HD12 ' A' ' 43' ' ' LEU . 24.3 mm-40 -58.57 -31.69 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.453 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 57.8 t-105 -88.03 -37.71 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.24 92.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HB1' ' HD2' ' A' ' 105' ' ' ARG . . . -68.51 -47.31 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -52.86 -41.63 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.7 84.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -75.76 -29.79 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -81.25 -23.19 38.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 50' ' ' ALA . 69.6 t -86.11 -41.01 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -73.2 -19.6 61.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -87.24 -28.86 22.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.621 ' HB3' HD21 ' A' ' 113' ' ' LEU . 32.9 mt-30 -91.69 -45.52 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.453 HG21 ' HB ' ' A' ' 62' ' ' VAL . 26.4 p -77.5 8.09 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 61.04 25.6 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.35 -8.61 79.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -69.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.453 ' HB ' HG21 ' A' ' 58' ' ' THR . 19.5 t -78.33 105.85 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -94.98 146.97 23.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -112.88 126.65 55.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.68 171.93 11.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.51 142.23 45.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.3 t -129.87 152.13 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.712 ' HB2' HG12 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -98.97 109.85 22.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . . . -68.34 -2.64 8.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.9 p -89.33 -25.77 21.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.712 HG12 ' HB2' ' A' ' 68' ' ' ASP . 14.6 p -112.77 -25.74 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.64 HD22 HG13 ' A' ' 71' ' ' VAL . 3.7 m-80 -94.21 111.73 23.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -111.05 -37.36 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.4 t -50.74 -42.95 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.02 -49.99 8.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -46.77 -43.38 18.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 t -76.28 -45.0 34.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -42.59 -49.02 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -106.02 -21.79 13.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 85.7 82.84 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.468 HG21 ' CG ' ' A' ' 32' ' ' PHE . 7.3 mm -113.21 103.63 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.12 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -125.67 -14.68 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.06 96.03 0.83 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.656 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -98.82 154.89 37.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.8 154.03 93.27 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.33 0.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.0 m -134.83 117.34 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.419 ' C ' ' HG2' ' A' ' 88' ' ' LYS . 17.2 mt -109.25 131.08 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.419 ' HG2' ' C ' ' A' ' 87' ' ' ILE . 23.6 mmtt -141.81 136.35 30.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -93.54 144.03 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -132.06 120.74 22.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 94' ' ' GLU . 38.4 mt-30 -108.75 154.73 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -67.74 99.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.96 -40.78 2.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 91' ' ' GLN . 16.0 mt-10 -67.73 170.36 8.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.41 144.58 43.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.9 47.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.601 HG12 ' N ' ' A' ' 98' ' ' ASP . 23.7 t -110.94 166.88 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.601 ' N ' HG12 ' A' ' 97' ' ' VAL . 6.2 m-20 -119.72 82.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.835 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.434 ' C ' HD12 ' A' ' 108' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.84 0.352 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.688 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.5 ptt-85 -52.06 -32.39 34.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -62.32 -62.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.56 -56.55 18.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.434 HD12 ' C ' ' A' ' 104' ' ' THR . 29.1 mt -44.01 -42.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 105' ' ' ARG . 41.3 t -70.25 -51.02 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.8 t -44.59 -46.06 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ASP . 13.4 tpp180 -61.96 -62.04 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -35.47 -37.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 57' ' ' GLN . 62.9 mt -69.69 -47.94 61.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' ARG . 14.8 t70 -47.54 -36.31 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt -85.47 -46.37 10.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 117' ' ' SER . 20.9 t80 -49.43 -56.47 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 116' ' ' PHE . 22.2 t -34.52 -38.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.22 -61.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.523 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 9.6 t70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 47.5 t -88.07 100.82 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.4 mt -78.2 137.38 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -99.39 127.51 45.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 16' ' ' SER . 27.0 mt -120.31 166.16 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 39.9 p -132.7 172.55 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -45.92 -38.84 8.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.67 -39.08 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.471 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.2 t -84.0 17.44 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -100.88 -34.48 9.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.41 -54.64 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -12.98 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -104.04 -29.19 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.622 HG22 ' CB ' ' A' ' 28' ' ' TRP . 55.9 t -101.24 -65.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.068 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.9 mt -53.53 -45.84 69.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.2 7.81 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.404 ' CB ' ' HE1' ' A' ' 28' ' ' TRP . 47.8 t -120.97 110.99 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.05 -16.85 34.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.06 155.75 27.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.655 HG23 ' NZ ' ' A' ' 61' ' ' LYS . 79.3 t -71.15 142.64 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.622 ' CB ' HG22 ' A' ' 21' ' ' VAL . 56.8 m95 -131.13 112.14 12.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.8 mtp -91.57 100.89 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.571 HG21 ' CE2' ' A' ' 17' ' ' PHE . 78.5 t -89.29 125.96 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.802 ' CD ' HD21 ' A' ' 43' ' ' LEU . 26.0 tt0 -121.13 109.1 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -79.11 132.49 36.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 1.8 p90 -144.72 162.41 36.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.2 138.92 30.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 111.092 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HD2' HG21 ' A' ' 70' ' ' THR . 53.9 Cg_endo -69.76 -10.39 28.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.28 . . . . 0.0 112.341 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.4 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.0 p-90 -114.78 21.59 14.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 3.5 t -123.05 120.46 33.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.3 -47.58 86.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -46.52 -20.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' LEU . 89.4 m -93.43 -51.04 5.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -44.22 -38.84 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -72.98 -29.8 63.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.802 HD21 ' CD ' ' A' ' 31' ' ' GLU . 14.8 tp -83.29 -19.55 36.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.574 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.3 tp10 -44.21 -55.82 9.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.3 Cg_endo -69.72 -45.1 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.499 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -53.07 -44.69 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.51 ' CE3' ' OE1' ' A' ' 31' ' ' GLU . 65.7 t-105 -65.63 -43.33 89.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -56.01 -46.43 78.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 105' ' ' ARG . . . -65.04 -46.59 80.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -54.72 -42.13 71.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.523 ' HB1' ' HB3' ' A' ' 8' ' ' ASP . . . -53.72 -50.52 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -66.18 -41.15 90.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.528 ' HG3' HG11 ' A' ' 109' ' ' VAL . 4.5 tp10 -69.18 -23.23 63.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 50' ' ' ALA . 54.1 t -84.57 -44.46 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 37.8 pttt -69.1 -24.71 64.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.76 -33.76 30.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.66 ' HB3' HD21 ' A' ' 113' ' ' LEU . 31.7 mt-30 -88.6 -28.48 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 54' ' ' VAL . 28.7 p -100.13 19.49 16.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 51.61 25.94 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 80.0 22.48 63.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.655 ' NZ ' HG23 ' A' ' 27' ' ' VAL . 25.1 tptp -79.6 -56.99 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.43 111.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -94.45 146.72 23.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.505 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.7 mp -113.97 124.72 52.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.36 162.46 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.143 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.78 146.48 50.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -137.47 144.82 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' OD1' ' HD3' ' A' ' 35' ' ' PRO . 11.2 t0 -102.91 103.26 13.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.95 -18.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.415 HG21 ' HD2' ' A' ' 35' ' ' PRO . 41.0 p -71.8 -31.99 67.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.85 -31.51 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.488 ' OD1' HD12 ' A' ' 75' ' ' LEU . 2.8 m-80 -87.15 109.86 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -107.53 -38.18 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.39 -41.47 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.488 HD12 ' OD1' ' A' ' 72' ' ' ASN . 14.4 mt -81.51 -57.46 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -43.08 -39.51 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -79.47 -41.97 26.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.532 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -56.57 -51.3 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.532 ' CZ ' ' HD2' ' A' ' 78' ' ' ARG . 30.0 m-85 -93.11 -21.14 19.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 83.5 45.43 6.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.614 HG22 ' CE1' ' A' ' 84' ' ' PHE . 14.9 mm -74.83 110.51 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -131.17 -33.0 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.99 100.49 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.614 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -100.61 154.12 37.36 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.699 0.762 . . . . 0.0 110.86 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.75 162.36 84.26 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.39 0.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.403 HG21 HD12 ' A' ' 81' ' ' ILE . 15.2 m -138.63 110.34 7.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.196 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.4 mt -100.25 121.23 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -130.74 145.04 51.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.481 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.5 mp -114.16 141.25 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 69.6 m-85 -130.78 121.63 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.555 ' HG2' HG22 ' A' ' 27' ' ' VAL . 82.0 mt-30 -123.51 149.57 45.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -75.63 121.99 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.48 -43.07 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.43 167.83 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -81.53 159.16 67.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.674 0.749 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.564 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.4 Cg_endo -69.76 136.55 33.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.613 2.209 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.481 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 6.7 m -101.1 173.67 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -117.37 109.02 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.472 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 14.1 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 105' ' ' ARG . 51.6 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.784 0.326 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.61 ' O ' HG23 ' A' ' 109' ' ' VAL . 18.8 ptt180 -36.14 -37.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 m -50.56 -58.39 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -69.77 -53.61 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.2 mt -42.44 -40.5 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 105' ' ' ARG . 72.0 t -73.08 -48.5 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.9 t -46.41 -46.76 18.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.635 ' CZ ' HD21 ' A' ' 115' ' ' LEU . 20.6 tpt180 -63.3 -50.71 68.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -43.92 -40.08 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 57' ' ' GLN . 78.5 mt -66.97 -43.2 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.01 -37.2 52.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.635 HD21 ' CZ ' ' A' ' 111' ' ' ARG . 4.5 mt -85.63 -37.1 19.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -52.87 -57.4 10.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.5 m -56.89 -12.84 2.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -80.61 -62.07 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -64.97 141.7 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.5 mt -104.72 131.84 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -88.52 116.14 26.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 mt -113.26 157.85 21.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.1 p -113.01 -175.11 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.43 2.24 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -118.58 -52.1 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 p -70.73 -22.08 62.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.649 ' CD2' HD13 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -44.77 -37.57 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.46 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -84.14 -41.92 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -69.24 -11.36 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -106.03 -27.94 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.444 HG22 ' CG ' ' A' ' 28' ' ' TRP . 99.0 t -102.4 -66.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 18' ' ' ASP . 33.3 mt -58.6 -39.96 81.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.74 4.9 14.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -128.02 125.84 40.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.4 38.79 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.07 157.95 36.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.77 123.89 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CG ' HG22 ' A' ' 21' ' ' VAL . 59.9 m95 -117.96 112.85 20.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.4 mtt -89.9 103.57 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -93.16 117.32 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.703 ' CD ' HD21 ' A' ' 43' ' ' LEU . 40.3 tt0 -118.1 106.74 13.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -77.51 122.79 25.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -127.4 163.36 24.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' HB2' ' HD2' ' A' ' 84' ' ' PHE . . . -123.21 129.73 24.82 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.598 0.713 . . . . 0.0 111.101 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -4.25 13.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -125.01 26.79 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 11.7 t -125.72 114.52 18.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -59.34 -67.68 2.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' GLY . 2.4 t-80 -37.47 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLY . 1.7 t -84.9 -42.19 15.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' GLY . 8.2 ptmt -52.01 -35.43 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -67.2 -21.92 65.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.703 HD21 ' CD ' ' A' ' 31' ' ' GLU . 3.4 tp -88.21 -30.9 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.539 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 tp10 -34.72 -58.1 0.71 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.636 0.731 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.77 -35.9 11.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' OE2' HG23 ' A' ' 104' ' ' THR . 2.4 mm-40 -62.24 -32.05 72.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.584 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 67.5 t-105 -81.5 -43.28 19.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.36 -58.18 6.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.62 -53.5 51.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.777 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -43.66 -55.18 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.2 -42.15 8.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -72.44 -39.81 67.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.756 ' HG2' HG11 ' A' ' 109' ' ' VAL . 7.8 tt0 -77.48 -14.58 59.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.809 HG23 HG22 ' A' ' 109' ' ' VAL . 47.6 t -92.27 -42.6 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' GLY . 15.3 pttm -69.85 -31.56 69.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.89 -36.05 72.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.594 ' HB3' HD21 ' A' ' 113' ' ' LEU . 33.6 mt-30 -83.81 -44.09 14.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.5 HG22 ' HB2' ' A' ' 116' ' ' PHE . 72.6 p -80.38 12.94 2.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm 54.13 26.2 6.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 92.48 -15.14 63.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -48.44 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.409 ' HB ' HG21 ' A' ' 58' ' ' THR . 39.7 t -80.83 112.2 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -103.41 145.05 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.453 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.9 mp -111.23 123.1 49.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.37 163.41 19.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.07 152.76 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.6 t -139.97 141.49 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.81 94.73 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.34 -17.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.9 p -68.09 -33.12 73.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.4 p -109.36 -34.5 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -80.66 108.84 14.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -111.51 -39.8 4.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.3 t -50.25 -38.89 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.649 HD13 ' CD2' ' A' ' 17' ' ' PHE . 15.1 mt -89.17 -54.0 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.16 -44.29 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -74.24 -43.34 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 15.3 ttt85 -41.75 -49.13 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 14.7 m-85 -101.5 -22.14 14.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.0 72.96 1.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.852 HD12 HG21 ' A' ' 86' ' ' THR . 17.8 mm -97.47 99.23 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.343 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -123.62 34.95 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.31 88.78 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.644 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -92.0 154.26 43.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.847 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.76 160.12 88.55 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.31 0.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.852 HG21 HD12 ' A' ' 81' ' ' ILE . 45.2 m -139.83 105.96 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.9 mt -98.33 116.72 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -127.24 129.68 48.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.48 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -96.0 139.27 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -125.33 125.48 43.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.44 ' NE2' HD22 ' A' ' 115' ' ' LEU . 76.2 mt-30 -116.11 141.65 47.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 118.11 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.26 -48.59 2.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -82.41 161.14 22.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.1 p -76.13 153.17 84.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.685 0.755 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.32 59.83 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.737 2.291 . . . . 0.0 112.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 18.9 m -117.8 144.43 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.22 110.9 22.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.4 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.806 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.434 HG23 ' OE2' ' A' ' 46' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.805 0.336 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.777 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.3 ptt-85 -45.81 -37.36 6.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.7 m -57.97 -54.04 51.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -72.3 -53.73 11.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.3 mt -41.93 -47.64 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.809 HG22 HG23 ' A' ' 54' ' ' VAL . 98.9 t -64.06 -49.18 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -42.53 -48.02 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 112' ' ' ALA . 7.4 tpp180 -62.38 -63.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -36.49 -38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 57' ' ' GLN . 29.1 mt -64.82 -56.75 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 114' ' ' ASP . 37.5 t0 -47.02 -41.26 16.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.44 HD22 ' NE2' ' A' ' 91' ' ' GLN . 8.7 mt -76.37 -38.39 55.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.5 ' HB2' HG22 ' A' ' 58' ' ' THR . 30.3 t80 -50.76 -48.51 59.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.6 p -61.95 -31.74 72.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -62.26 -57.49 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.08 132.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 17.2 mt -108.4 140.21 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -101.4 116.59 33.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 90.8 mt -113.96 153.9 28.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.44 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 3.7 p -115.02 -175.55 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -53.77 54.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -77.29 -47.25 20.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -56.49 -45.69 80.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.826 ' HE2' HG21 ' A' ' 30' ' ' VAL . 2.7 t80 -43.99 -24.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.672 ' HB3' HD12 ' A' ' 22' ' ' LEU . 18.5 m-20 -86.74 -48.21 8.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -73.67 -5.64 41.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.441 ' CB ' HD22 ' A' ' 12' ' ' LEU . 10.3 m-80 -106.25 -38.26 6.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.3 t -96.68 -65.16 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.672 HD12 ' HB3' ' A' ' 18' ' ' ASP . 54.8 mt -53.93 -39.95 66.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.75 7.33 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -132.83 127.81 35.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -84.11 16.68 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -103.05 158.08 16.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.51 ' HB ' HG13 ' A' ' 62' ' ' VAL . 47.2 t -70.96 122.89 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.514 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 30.7 m95 -114.11 116.43 29.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.466 ' SD ' ' CG2' ' A' ' 87' ' ' ILE . 0.7 OUTLIER -91.22 111.0 22.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.826 HG21 ' HE2' ' A' ' 17' ' ' PHE . 41.3 t -102.34 113.58 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 11.2 tm-20 -107.96 96.43 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CB ' HG21 ' A' ' 81' ' ' ILE . 73.1 m-85 -66.04 114.4 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.3 p90 -122.15 166.45 14.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.22 137.02 27.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HD2' HG21 ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.74 -15.83 37.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -112.28 13.67 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.632 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 11.3 t -110.26 123.25 49.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -60.27 -52.69 51.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' GLY . 78.7 m-70 -35.97 -46.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.758 0.313 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -63.06 -57.6 10.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -41.08 -37.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.407 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 9.2 t30 -78.89 -31.41 45.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 40' ' ' CYS . 26.3 tp -79.1 -18.1 53.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.6 tp10 -39.37 -58.4 1.94 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.686 0.755 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.8 -45.37 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.237 . . . . 0.0 112.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HB2' HD12 ' A' ' 43' ' ' LEU . 2.0 mp0 -54.88 -27.88 46.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.434 ' CZ3' HG12 ' A' ' 87' ' ' ILE . 59.7 t-105 -91.69 -35.41 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.54 77.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.066 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.51 -47.32 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.782 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -48.39 -47.55 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.61 -55.0 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 m -63.03 -40.29 97.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.49 ' HG2' HG21 ' A' ' 109' ' ' VAL . 3.8 tp10 -67.1 -28.61 68.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 50' ' ' ALA . 78.1 t -80.25 -39.61 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -74.04 -27.93 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -77.5 -31.37 53.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.444 HE22 HD11 ' A' ' 113' ' ' LEU . 34.4 mt-30 -90.58 -40.34 12.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 54' ' ' VAL . 21.7 p -84.31 20.83 1.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt 50.33 26.45 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.76 28.16 47.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' HE2' ' C ' ' A' ' 119' ' ' ASN . 48.1 tptt -88.85 -61.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.51 HG13 ' HB ' ' A' ' 27' ' ' VAL . 6.7 t -82.53 109.87 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 26.4 mttt -91.5 155.56 18.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -125.13 118.95 27.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . . . -126.71 172.05 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.77 161.83 30.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.409 HG13 ' CG ' ' A' ' 72' ' ' ASN . 92.6 t -147.83 122.64 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.492 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 46.6 p-10 -74.39 97.63 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.71 -14.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.461 HG21 ' HD2' ' A' ' 35' ' ' PRO . 75.1 p -75.59 -27.63 58.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.492 ' CG2' ' OD2' ' A' ' 68' ' ' ASP . 42.8 t -110.19 -37.64 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.409 ' CG ' HG13 ' A' ' 67' ' ' VAL . 3.9 m-80 -82.02 107.77 14.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -110.13 -35.04 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.34 -36.27 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mt -91.73 -50.31 5.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.25 -40.66 17.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 t -77.13 -38.21 52.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 58.3 ttt180 -53.52 -49.65 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 17.4 m-85 -99.2 -19.83 16.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 79.98 80.39 0.81 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.79 HG22 ' CE1' ' A' ' 84' ' ' PHE . 20.4 mm -111.16 106.02 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.0 -16.69 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.22 94.08 0.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.79 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -95.31 153.91 39.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.702 0.763 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.5 Cg_endo -69.8 160.95 87.29 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.33 0.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -141.65 106.15 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CG2' ' SD ' ' A' ' 29' ' ' MET . 17.0 mt -96.92 123.4 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -130.58 139.2 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.487 HG21 HE21 ' A' ' 91' ' ' GLN . 3.9 mp -98.6 144.59 11.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -128.47 106.16 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.487 HE21 HG21 ' A' ' 89' ' ' ILE . 67.7 mt-30 -110.24 109.29 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -46.39 122.07 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.25 -41.93 1.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -140.54 174.22 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -61.81 152.6 75.47 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.708 0.766 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.37 31.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 11.9 m -118.78 166.74 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -101.99 116.03 31.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.829 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' ARG . 19.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.793 0.33 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.782 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 21.4 ptt180 -37.9 -36.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.9 m -59.37 -54.42 46.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.43 -52.18 12.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 38.0 mt -48.07 -36.29 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.668 HG22 HG23 ' A' ' 54' ' ' VAL . 37.3 t -79.07 -45.74 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.2 t -49.69 -44.46 48.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -64.95 -51.8 59.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.06 -38.06 16.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.444 HD11 HE22 ' A' ' 57' ' ' GLN . 16.2 mt -70.55 -44.56 67.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.67 -29.57 27.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.469 ' HB3' ' ND2' ' A' ' 119' ' ' ASN . 8.5 mt -94.6 -39.97 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.555 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 11.6 t80 -51.26 -50.52 59.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' PHE . 4.2 t -37.84 -38.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' ASN . 5.8 t0 -98.31 -61.41 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 115' ' ' LEU . 27.1 m-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 p -88.85 133.97 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.41 139.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -98.47 124.5 43.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 16' ' ' SER . 30.1 mt -117.99 164.29 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 26.3 p -129.82 178.51 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -53.74 -29.99 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -103.75 -30.93 10.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.535 ' O ' HD22 ' A' ' 12' ' ' LEU . 26.3 m -92.35 16.91 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.833 ' CE2' HG21 ' A' ' 30' ' ' VAL . 1.2 t80 -97.8 -47.94 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.33 -52.66 7.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -57.32 -15.08 5.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -102.57 -22.33 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.73 HG22 ' CG ' ' A' ' 28' ' ' TRP . 24.4 t -102.85 -63.29 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.404 HD23 HG12 ' A' ' 21' ' ' VAL . 6.4 mt -55.92 -29.42 60.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.7 9.12 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.0 t -131.96 146.47 52.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -97.3 26.5 4.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -118.72 158.06 26.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.03 124.2 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.73 ' CG ' HG22 ' A' ' 21' ' ' VAL . 50.0 m95 -114.16 111.61 21.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.0 mtp -87.96 100.84 13.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.833 HG21 ' CE2' ' A' ' 17' ' ' PHE . 39.3 t -90.8 119.3 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -119.6 117.5 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -92.5 133.91 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -140.73 172.79 12.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -122.58 133.19 24.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.582 0.706 . . . . 0.0 111.072 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.516 ' HD2' HG21 ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.76 -3.42 11.98 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -124.13 1.49 8.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.573 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 41.9 t -94.1 111.53 23.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.82 -59.26 9.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -44.76 -33.76 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.9 m -75.71 -44.85 40.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -51.71 -35.83 44.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -70.26 -24.69 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 46' ' ' GLU . 12.5 tp -89.14 -27.14 20.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.536 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.2 tt0 -36.86 -58.29 1.1 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.8 Cg_endo -69.77 -29.94 23.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.327 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.519 ' HB2' HD12 ' A' ' 43' ' ' LEU . 31.3 mm-40 -67.96 -33.01 73.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -79.21 -40.84 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.28 78.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.09 89.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.633 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -53.1 -43.15 66.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.69 -47.93 66.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -67.49 -40.1 85.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.925 ' HG2' HG11 ' A' ' 109' ' ' VAL . 14.2 tt0 -72.62 -14.34 61.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.82 HG23 HG22 ' A' ' 109' ' ' VAL . 37.3 t -92.42 -41.53 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -72.86 -20.39 61.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -81.68 -28.57 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.724 ' HB3' HD21 ' A' ' 113' ' ' LEU . 34.0 mt-30 -96.27 -36.55 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.573 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 49.5 p -85.73 20.39 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt 51.3 27.05 3.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.49 22.95 66.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -85.62 -64.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.53 109.11 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -95.29 137.67 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -106.42 123.57 48.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.97 158.44 35.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.424 ' CB ' ' OE1' ' A' ' 31' ' ' GLU . . . -121.05 154.38 36.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.97 148.69 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -101.19 99.78 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.692 ' CB ' ' CE1' ' A' ' 84' ' ' PHE . . . -58.0 -14.57 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.516 HG21 ' HD2' ' A' ' 35' ' ' PRO . 77.7 p -71.42 -27.04 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -113.34 -35.3 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -76.48 106.44 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -106.5 -30.45 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.99 -38.23 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.58 -56.81 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.12 -43.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -78.89 -39.84 33.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -46.72 -51.83 15.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -100.92 -21.02 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.86 58.51 2.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.707 HD12 HG21 ' A' ' 86' ' ' THR . 21.4 mm -59.4 -73.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 38.91 26.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.64 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -159.46 88.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -102.15 155.52 36.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 -179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.4 Cg_endo -69.7 165.86 75.37 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.413 -0.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.707 HG21 HD12 ' A' ' 81' ' ' ILE . 86.9 m -142.21 142.37 32.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.5 mt -133.96 122.78 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -131.67 148.45 52.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.479 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -114.29 138.06 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 38.1 m-85 -130.05 122.79 29.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 94' ' ' GLU . 27.3 mp0 -114.55 157.54 22.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.04 107.49 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.76 -46.22 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 91' ' ' GLN . 10.4 pt-20 -100.92 171.53 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.1 p -83.59 152.75 64.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.587 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.79 148.98 66.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.479 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 3.6 m -108.4 173.65 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 1.6 m-20 -113.52 103.51 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.1 t80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.848 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 105' ' ' ARG . 81.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.752 0.311 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.633 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 19.5 ptt180 -36.68 -41.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -50.78 -59.06 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.96 -53.58 20.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.416 HD12 ' C ' ' A' ' 104' ' ' THR . 20.1 mt -42.15 -41.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.925 HG11 ' HG2' ' A' ' 53' ' ' GLU . 98.4 t -74.97 -48.16 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.7 t -49.23 -36.59 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -72.51 -53.09 13.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.31 -39.34 6.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.724 HD21 ' HB3' ' A' ' 57' ' ' GLN . 21.0 mt -61.01 -51.62 68.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.02 -44.79 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -78.98 -44.13 23.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 32.9 t80 -44.69 -40.36 5.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 91.9 p -70.72 -36.14 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.46 -53.99 50.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 24.7 t70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.71 121.53 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.637 ' O ' ' HB1' ' A' ' 65' ' ' ALA . 49.2 mt -94.84 135.41 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.38 138.6 31.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.9 mt -122.18 160.43 25.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.547 HG22 ' H ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -119.8 171.52 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.547 ' H ' HG22 ' A' ' 13' ' ' THR . 2.7 p30 -58.43 -17.2 18.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -117.47 -40.94 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.449 ' OG ' ' ND2' ' A' ' 20' ' ' ASN . 1.1 t -66.75 -22.59 66.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -52.83 -39.38 62.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.428 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.96 -38.61 19.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -67.47 -17.72 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.449 ' ND2' ' OG ' ' A' ' 16' ' ' SER . 5.1 m-80 -106.03 -25.86 11.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 17' ' ' PHE . 98.2 t -98.11 -65.44 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 18' ' ' ASP . 41.5 mt -60.57 -53.68 54.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -53.86 -15.21 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 t -112.1 133.07 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -85.62 27.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.12 158.03 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 62' ' ' VAL . 91.4 t -72.56 127.48 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 38.9 m95 -116.51 113.55 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.4 mtp -88.28 99.81 12.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.8 t -92.55 121.61 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.556 ' OE1' ' CD2' ' A' ' 47' ' ' TRP . 41.8 tt0 -121.86 100.16 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -73.03 129.72 38.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -135.94 176.36 8.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.4 132.3 24.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.707 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -7.72 21.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.47 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.4 p-90 -121.68 21.54 10.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 8.4 t -119.48 127.51 53.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -60.92 -55.6 28.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' GLY . 6.5 t-80 -35.23 -39.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -75.86 -54.28 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -43.3 -43.54 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.491 ' C ' ' ND2' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -73.14 -25.67 60.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.469 HD21 ' CD ' ' A' ' 31' ' ' GLU . 4.6 tp -88.01 -19.08 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.532 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tp10 -39.41 -57.93 2.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.0 Cg_endo -69.79 -40.51 5.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.485 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -58.08 -31.21 66.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.556 ' CD2' ' OE1' ' A' ' 31' ' ' GLU . 71.8 t-105 -82.67 -37.02 25.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.4 -56.52 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.97 64.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.875 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -52.14 -43.3 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.27 -46.95 72.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -71.16 -40.49 71.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HG3' HG11 ' A' ' 109' ' ' VAL . 10.9 tp10 -68.46 -26.7 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.874 HG23 HG22 ' A' ' 109' ' ' VAL . 55.8 t -83.45 -38.56 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -74.74 -21.57 59.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -86.23 -25.53 25.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.616 ' HB3' HD21 ' A' ' 113' ' ' LEU . 32.2 mt-30 -94.65 -43.21 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.557 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 31.0 p -83.61 22.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 50.66 29.75 4.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.63 23.42 72.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -81.82 -61.11 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.47 HG13 ' CG1' ' A' ' 27' ' ' VAL . 21.3 t -83.38 105.69 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -88.05 155.54 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mp -122.55 121.91 37.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.637 ' HB1' ' O ' ' A' ' 10' ' ' ILE . . . -128.88 166.91 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.31 166.44 18.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.0 t -150.92 138.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.64 101.99 14.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.78 -10.12 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.47 HG21 ' NE1' ' A' ' 36' ' ' TRP . 61.9 p -85.12 -13.82 49.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.35 -29.78 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.32 105.64 17.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -106.95 -32.5 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.36 -39.22 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 17' ' ' PHE . 41.4 mt -86.07 -58.14 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -43.66 -38.47 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.1 t -74.28 -29.96 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' LEU . 50.5 ttt-85 -64.88 -46.88 79.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -96.48 -22.6 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 85.55 50.16 4.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.059 HD12 HG21 ' A' ' 86' ' ' THR . 28.7 mm -80.92 112.08 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -128.98 -29.32 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.39 107.22 2.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.551 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -100.94 154.74 36.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.3 Cg_endo -69.82 165.94 75.51 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.347 0.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 1.059 HG21 HD12 ' A' ' 81' ' ' ILE . 93.4 m -142.01 105.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.194 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.45 HD11 ' OE2' ' A' ' 31' ' ' GLU . 22.1 mt -97.86 123.5 50.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -130.08 138.65 50.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.673 ' HB ' HG23 ' A' ' 97' ' ' VAL . 4.2 mp -106.06 140.8 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 87.1 m-85 -128.48 112.24 14.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.671 ' NE2' HD22 ' A' ' 115' ' ' LEU . 63.6 mt-30 -112.98 73.01 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 91' ' ' GLN . 4.3 ttmt -34.3 112.67 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.57 -33.92 1.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -128.26 -76.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 t -175.63 142.82 0.67 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.705 0.764 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.583 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.79 162.03 43.66 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.624 2.216 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.673 HG23 ' HB ' ' A' ' 89' ' ' ILE . 2.3 m -137.83 178.31 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -125.5 119.6 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.454 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 54.6 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 106' ' ' SER . 35.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.727 0.299 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.875 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.4 ptt85 -34.04 -35.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 104' ' ' THR . 62.9 m -57.22 -58.79 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.28 -53.95 17.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 35.7 mt -45.38 -46.29 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.874 HG22 HG23 ' A' ' 54' ' ' VAL . 56.0 t -71.66 -47.48 57.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.0 t -50.03 -37.88 35.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -73.52 -56.12 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.91 -37.72 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 57' ' ' GLN . 20.0 mt -58.85 -41.08 86.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -56.43 -40.61 75.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.671 HD22 ' NE2' ' A' ' 91' ' ' GLN . 11.8 mt -73.32 -43.44 60.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 51.5 t80 -51.93 -39.2 58.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 m -89.56 24.93 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -130.8 -32.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.32 134.75 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.3 mt -102.97 141.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -98.93 121.49 40.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -118.3 170.79 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 32.9 p -128.87 -177.05 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -25.02 67.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 7.0 t70 -105.18 -49.1 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 19.8 m -62.7 -23.82 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.862 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -56.6 -29.97 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.693 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -93.17 -42.99 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -12.63 38.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 16' ' ' SER . 62.3 m-80 -103.07 -42.48 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.866 HG22 ' CB ' ' A' ' 28' ' ' TRP . 73.9 t -85.69 -64.66 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.693 HD12 ' HB2' ' A' ' 18' ' ' ASP . 51.5 mt -53.99 -44.2 70.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -74.95 4.8 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.3 t -128.87 114.88 17.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.82 -14.71 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -76.18 153.8 35.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.6 135.61 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.866 ' CB ' HG22 ' A' ' 21' ' ' VAL . 37.6 m95 -122.82 114.66 20.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.3 mtp -90.16 106.41 18.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.862 HG21 ' CE2' ' A' ' 17' ' ' PHE . 92.7 t -90.71 131.85 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.21 104.09 7.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CG ' HG21 ' A' ' 81' ' ' ILE . 26.8 m-85 -78.99 126.9 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -139.3 167.7 21.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.489 ' HB1' ' CE2' ' A' ' 36' ' ' TRP . . . -122.47 135.75 25.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -3.06 11.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.489 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.1 p-90 -120.09 -3.62 10.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 t -89.82 111.36 22.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.19 -54.49 31.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -45.69 -39.85 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.5 m -72.8 -40.81 65.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -52.29 -36.82 53.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -73.53 -24.95 60.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 46' ' ' GLU . 7.1 tp -83.89 -25.43 30.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.7 tt0 -36.54 -58.52 1.0 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.842 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.4 Cg_endo -69.75 -34.1 15.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.308 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' HD12 ' A' ' 43' ' ' LEU . 89.6 mt-10 -64.81 -30.9 71.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.5 ' CE3' HD13 ' A' ' 108' ' ' ILE . 65.3 t-105 -84.25 -33.15 24.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.08 -57.43 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.83 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.816 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -42.84 -47.95 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.51 -42.54 74.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -72.43 -38.3 68.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.926 ' HG2' HG11 ' A' ' 109' ' ' VAL . 10.4 tt0 -75.1 -12.26 60.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.024 HG23 HG22 ' A' ' 109' ' ' VAL . 19.8 t -93.56 -43.85 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -71.17 -26.31 62.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CD ' ' HA ' ' A' ' 53' ' ' GLU . 19.5 pt-20 -77.4 -25.49 50.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -96.52 -37.05 10.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.483 HG21 ' HB ' ' A' ' 62' ' ' VAL . 55.4 p -86.49 1.49 51.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 62.39 37.72 13.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.8 -13.44 36.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.59 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -50.86 -68.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.483 ' HB ' HG21 ' A' ' 58' ' ' THR . 53.8 t -84.35 121.86 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.419 ' C ' HD12 ' A' ' 64' ' ' LEU . 23.2 mtpp -109.19 159.82 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 63' ' ' LYS . 9.6 mp -126.48 127.31 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.15 165.83 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.9 151.52 50.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 68' ' ' ASP . 59.1 t -134.7 153.55 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' N ' HG12 ' A' ' 67' ' ' VAL . 45.0 m-20 -106.37 97.23 7.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.03 -16.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.8 p -72.74 -32.37 65.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -105.91 -29.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.93 110.56 20.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -110.51 -31.25 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -59.67 -39.46 79.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.1 mt -85.07 -56.07 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.43 -26.7 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 t -89.75 -33.97 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.453 ' HD3' ' CE1' ' A' ' 79' ' ' TYR . 18.6 ttt85 -63.64 -42.5 98.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 22.3 m-85 -105.32 -19.62 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.27 45.29 6.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.628 HG22 ' HE1' ' A' ' 84' ' ' PHE . 24.7 mm -75.48 100.62 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -126.89 -27.35 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.91 95.11 1.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.628 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -97.39 153.95 38.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.646 0.736 . . . . 0.0 110.891 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.9 Cg_endo -69.77 154.14 93.22 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.345 0.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -133.5 119.47 19.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.9 mt -113.0 126.85 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.435 ' C ' HD12 ' A' ' 89' ' ' ILE . 24.0 mmtm -134.47 141.78 46.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.693 HD12 ' N ' ' A' ' 89' ' ' ILE . 1.9 mp -105.38 139.27 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 28.6 m-85 -129.16 129.62 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.505 ' OE1' HG22 ' A' ' 89' ' ' ILE . 9.8 mp0 -131.44 133.21 44.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -61.23 143.82 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.88 -41.72 2.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -116.57 162.77 17.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.1 p -74.88 153.15 86.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.526 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.5 Cg_endo -69.76 162.83 40.58 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.458 HG23 ' HB ' ' A' ' 89' ' ' ILE . 1.4 m -127.37 -176.4 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -113.55 117.82 32.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.812 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 105' ' ' ARG . 36.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.836 0.351 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.816 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 21.3 ptt180 -36.73 -36.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.4 p -62.63 -51.62 66.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.79 -52.82 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.5 HD13 ' CE3' ' A' ' 47' ' ' TRP . 43.5 mt -46.19 -48.5 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.024 HG22 HG23 ' A' ' 54' ' ' VAL . 75.8 t -70.76 -45.65 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 t -51.26 -31.0 19.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.664 HH12 HD21 ' A' ' 115' ' ' LEU . 21.6 tpt85 -78.85 -55.18 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.434 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -41.44 -34.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.37 -38.81 78.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' ARG . 30.3 t0 -51.88 -28.2 15.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.664 HD21 HH12 ' A' ' 111' ' ' ARG . 8.7 mt -95.9 -41.48 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' 58' ' ' THR . 20.2 t80 -56.21 -32.44 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.3 m -68.6 -11.93 60.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -99.2 -44.1 6.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.42 127.4 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.5 mt -104.26 138.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -99.07 133.6 43.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -123.12 176.97 5.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.9 p -131.17 -175.62 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.88 -17.65 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -108.74 -49.97 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -61.78 -38.3 87.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -38.51 -39.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.441 ' OD1' ' CE ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -91.43 -35.52 14.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' CE ' ' OD1' ' A' ' 18' ' ' ASP . 9.3 mmpt? -67.65 -14.43 62.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -105.95 -34.88 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.723 HG22 ' CB ' ' A' ' 28' ' ' TRP . 43.1 t -87.48 -55.1 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.37 -38.24 87.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -76.21 3.2 11.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t -130.18 115.33 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -61.62 -18.17 58.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -72.35 157.51 37.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.96 138.99 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.723 ' CB ' HG22 ' A' ' 21' ' ' VAL . 24.7 m95 -126.65 114.09 17.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.5 mtp -91.14 102.35 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -92.22 131.38 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.5 tm-20 -125.59 91.31 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.863 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 52.3 m-85 -59.74 124.01 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 6.9 p90 -134.8 173.83 11.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.708 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -122.98 135.38 25.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 111.124 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.403 ' HD2' HG21 ' A' ' 70' ' ' THR . 54.5 Cg_endo -69.7 -6.1 17.75 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -125.26 1.93 7.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.708 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 51.6 t -91.66 122.08 33.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -56.03 -58.64 13.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.2 m170 -35.53 -46.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.329 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -62.76 -54.22 42.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -43.79 -37.39 2.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -75.99 -30.11 58.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' CYS . 21.9 tp -81.31 -23.1 38.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.1 tp10 -35.65 -59.62 0.71 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.665 0.745 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.76 -45.18 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.0 -28.66 53.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -89.74 -38.5 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.18 81.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.83 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -42.72 -55.13 3.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.89 -50.91 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -37.43 84.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.791 ' HG2' HG11 ' A' ' 109' ' ' VAL . 6.3 tt0 -76.96 -14.03 59.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 50' ' ' ALA . 69.3 t -93.99 -43.91 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -70.65 -17.46 62.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -86.13 -31.75 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.685 ' HB3' HD21 ' A' ' 113' ' ' LEU . 33.6 mt-30 -90.94 -38.87 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.576 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 66.3 p -81.93 15.89 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 56.8 25.49 10.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.67 18.71 67.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 26' ' ' ASP . 16.8 tptm -83.33 -66.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.406 ' HB ' HG21 ' A' ' 58' ' ' THR . 44.8 t -73.28 118.1 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -103.02 157.08 17.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 mp -125.76 120.27 30.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.48 175.16 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.44 163.48 30.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.9 t -155.74 148.13 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.488 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -85.38 98.67 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 32' ' ' PHE . . . -60.43 -19.11 55.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 70' ' ' THR . 0.3 OUTLIER -86.13 -18.55 32.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 68' ' ' ASP . 64.6 t -106.37 -25.64 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.488 ' ND2' ' OD1' ' A' ' 68' ' ' ASP . 6.3 m-80 -94.78 111.75 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -103.29 -24.93 13.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.9 t -66.69 -35.97 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 17' ' ' PHE . 11.0 mt -92.19 -50.96 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.404 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -52.58 -29.56 26.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 t -84.39 -24.83 29.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -75.72 -35.85 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -111.0 -16.97 13.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.404 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 77.8 77.05 0.85 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.452 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.533 HG22 ' CE1' ' A' ' 84' ' ' PHE . 10.2 mm -106.69 115.97 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 111.084 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -127.68 -26.15 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.22 119.43 5.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.605 ' HD2' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -114.33 155.98 45.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.1 Cg_endo -69.74 166.71 73.3 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.394 -0.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -141.8 106.04 4.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.1 mt -94.15 123.76 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -135.76 133.69 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.557 ' HB ' HG23 ' A' ' 97' ' ' VAL . 2.9 mp -89.61 149.05 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -138.07 131.71 31.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -125.03 143.58 50.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -67.54 105.48 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.7 -47.5 1.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.89 167.39 21.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 p -83.84 142.24 41.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.683 0.754 . . . . 0.0 110.832 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 150.84 69.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.557 HG23 ' HB ' ' A' ' 89' ' ' ILE . 2.7 m -129.52 178.88 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.94 132.21 56.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.7 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.815 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 109' ' ' VAL . 22.4 ptt180 -40.26 -40.61 1.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 m -53.83 -47.0 71.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -82.0 -51.15 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.2 mt -46.73 -41.22 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.791 HG11 ' HG2' ' A' ' 53' ' ' GLU . 87.3 t -70.95 -48.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.3 t -44.23 -48.17 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -63.25 -56.85 13.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.08 -37.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.685 HD21 ' HB3' ' A' ' 57' ' ' GLN . 43.4 mt -70.0 -40.75 75.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.49 -37.12 62.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.9 mt -88.02 -37.12 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.576 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 20.1 t80 -47.65 -60.79 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 t -46.73 -42.03 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.08 -44.85 95.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.04 105.32 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.1 mt -80.78 136.05 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -101.74 128.05 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.7 mt -111.93 172.04 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 14' ' ' ASP . 4.3 m -133.17 164.42 27.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.461 ' N ' HG22 ' A' ' 13' ' ' THR . 14.4 m-20 -46.74 -37.46 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -100.32 -15.71 17.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 61.2 m -105.23 16.6 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -98.87 -29.83 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.893 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.401 ' HB3' HD12 ' A' ' 22' ' ' LEU . 63.9 m-20 -88.74 -52.79 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 13.3 ptmt -64.2 -10.93 26.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 16' ' ' SER . 5.0 m-80 -101.28 -28.11 12.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.533 HG22 ' CB ' ' A' ' 28' ' ' TRP . 50.1 t -101.56 -61.5 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.424 ' O ' ' CE ' ' A' ' 92' ' ' LYS . 16.8 mt -55.27 -55.32 32.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.3 -12.8 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.414 ' CB ' ' HE1' ' A' ' 28' ' ' TRP . 32.9 t -103.89 101.13 10.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -49.8 -23.44 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.19 157.83 36.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.67 145.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CB ' HG22 ' A' ' 21' ' ' VAL . 43.5 m95 -131.29 111.69 12.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mtp -87.49 101.0 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' A' ' 17' ' ' PHE . 40.6 t -85.22 130.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 5.2 tp10 -127.16 96.78 4.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -70.02 128.64 37.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.566 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 2.3 p90 -139.82 165.38 27.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . . . -122.99 137.52 28.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.547 0.689 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -18.71 37.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.395 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.558 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.2 p-90 -105.08 9.81 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.7 t -109.7 128.26 55.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.27 -53.23 43.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -40.24 -33.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -73.57 -58.52 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -46.17 -41.7 12.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -73.21 -29.48 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' HB2' ' A' ' 46' ' ' GLU . 12.3 tp -80.69 -22.42 40.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.612 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -37.91 -54.11 2.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.915 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.0 Cg_endo -69.79 -46.58 1.16 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' HB2' HD12 ' A' ' 43' ' ' LEU . 2.6 mp0 -55.92 -28.1 55.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 58.8 t-105 -92.5 -37.96 12.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.96 -53.29 59.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.43 -49.3 76.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.696 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -51.25 -45.41 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.58 70.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -81.02 -31.43 34.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' HG3' HG11 ' A' ' 109' ' ' VAL . 11.4 tp10 -76.98 -20.8 55.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 HG22 ' A' ' 109' ' ' VAL . 55.1 t -84.98 -39.76 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -75.75 -20.47 58.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.8 -30.4 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.413 ' CB ' HD21 ' A' ' 113' ' ' LEU . 36.9 mt-30 -94.65 -40.09 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.571 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 34.6 p -82.56 18.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm 53.37 27.49 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.71 17.87 71.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -77.17 -65.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.9 t -76.41 110.55 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -97.57 141.83 30.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.19 128.2 54.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.2 160.49 32.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.57 154.46 46.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.46 HG13 ' ND2' ' A' ' 72' ' ' ASN . 60.9 t -142.86 141.65 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -89.83 105.78 18.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.08 -13.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.558 HG21 ' NE1' ' A' ' 36' ' ' TRP . 31.9 p -83.05 -23.29 33.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.81 -35.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.549 ' OD1' HD12 ' A' ' 75' ' ' LEU . 3.8 m-80 -87.89 110.81 20.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -106.87 -39.73 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.4 t -55.08 -39.41 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.549 HD12 ' OD1' ' A' ' 72' ' ' ASN . 5.6 mt -87.27 -52.09 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -49.5 -39.23 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 t -78.27 -37.92 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -52.32 -51.81 56.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -100.96 -16.5 17.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 80.18 86.87 0.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.949 HG22 ' CE1' ' A' ' 84' ' ' PHE . 50.4 mm -105.02 115.59 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -134.38 -34.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.41 101.66 2.08 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.949 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -104.08 155.83 36.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.737 . . . . 0.0 110.894 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.71 162.99 82.86 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.362 -0.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.481 HG21 HD12 ' A' ' 81' ' ' ILE . 3.6 m -140.05 108.84 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.401 ' CG1' ' OE2' ' A' ' 31' ' ' GLU . 18.5 mt -95.81 124.27 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -134.18 126.31 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.461 ' HB ' HG23 ' A' ' 97' ' ' VAL . 2.7 mp -88.63 147.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 94.4 m-85 -138.03 127.94 25.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -124.62 131.09 53.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.424 ' CE ' ' O ' ' A' ' 22' ' ' LEU . 21.0 tttm -50.08 124.63 10.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.54 -41.83 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -76.04 163.53 27.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.5 t -85.02 139.49 36.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.0 Cg_endo -69.75 153.6 68.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.461 HG23 ' HB ' ' A' ' 89' ' ' ILE . 3.6 m -129.83 171.35 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -112.63 116.87 30.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.422 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 89.1 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.442 ' C ' HD12 ' A' ' 108' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.796 0.331 . . . . 0.0 111.164 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.696 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 20.4 ptt180 -46.49 -36.34 6.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -54.75 -53.16 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -75.7 -52.16 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 104' ' ' THR . 21.2 mt -46.51 -42.21 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 54' ' ' VAL . 44.9 t -72.21 -47.7 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.3 t -45.3 -44.2 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 114' ' ' ASP . 0.0 OUTLIER -71.57 -53.05 15.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.05 -30.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 57' ' ' GLN . 85.8 mt -77.8 -38.74 45.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' ARG . 2.9 m-20 -57.27 -30.8 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -93.93 -35.99 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 7.0 t80 -48.3 -57.61 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' ASP . 24.9 t -52.21 -56.05 17.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' SER . 15.2 m-20 -35.76 -55.84 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.868 0.365 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.2 t -57.71 125.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.3 mt -96.06 149.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -102.82 134.56 46.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.0 mt -118.69 163.79 16.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.538 HG22 ' H ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -122.88 171.16 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.538 ' H ' HG22 ' A' ' 13' ' ' THR . 0.5 OUTLIER -53.85 -31.8 50.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.813 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.02 -45.03 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -59.1 -32.92 70.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 30' ' ' VAL . 1.4 t80 -44.07 -47.43 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.922 ' HB2' HD12 ' A' ' 22' ' ' LEU . 1.2 p30 -76.64 -48.23 19.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -62.34 -12.25 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -106.03 -25.49 12.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.629 HG22 ' CB ' ' A' ' 28' ' ' TRP . 38.3 t -104.57 -62.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.922 HD12 ' HB2' ' A' ' 18' ' ' ASP . 53.5 mt -56.11 -43.82 78.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -79.15 9.07 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -122.18 115.03 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -64.91 -14.79 60.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.4 158.0 23.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.4 t -73.39 142.4 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.629 ' CB ' HG22 ' A' ' 21' ' ' VAL . 47.8 m95 -129.97 116.44 18.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.6 mtp -93.27 99.36 11.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 17' ' ' PHE . 60.4 t -85.33 127.89 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.565 ' OE2' HD21 ' A' ' 43' ' ' LEU . 9.0 tt0 -127.06 107.84 10.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -83.79 126.4 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.7 p90 -135.96 169.07 18.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -123.12 133.41 24.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 0.0 111.094 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -9.85 27.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -117.42 13.76 14.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 53.7 t -112.14 129.56 56.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -56.8 -62.69 6.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.4 m170 -36.39 -41.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -62.64 -54.47 38.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -51.93 -31.24 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -80.64 -28.75 36.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' ' 46' ' ' GLU . 59.8 tp -83.59 -12.11 56.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 tt0 -52.8 -58.8 10.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.636 0.732 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.4 Cg_endo -69.76 -25.03 29.04 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.644 ' HB2' HD12 ' A' ' 43' ' ' LEU . 58.2 mm-40 -77.15 -31.3 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.521 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 56.7 t-105 -87.13 -42.5 12.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.46 -53.94 32.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.28 -52.71 52.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.833 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -42.17 -35.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.504 ' HA ' HD22 ' A' ' 64' ' ' LEU . . . -63.9 -44.72 92.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -69.37 -43.36 73.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.486 ' CG ' HG11 ' A' ' 109' ' ' VAL . 6.2 tp10 -65.91 -27.71 68.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 50' ' ' ALA . 84.6 t -87.4 -37.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 60' ' ' GLY . 8.3 tttm -68.71 -37.97 79.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -76.49 -35.34 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.463 ' HB3' HD21 ' A' ' 113' ' ' LEU . 24.3 mt-30 -77.4 -40.65 42.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 54' ' ' VAL . 19.6 p -88.2 6.04 38.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.15 26.32 16.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 92.07 -11.43 72.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -52.21 -67.57 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.341 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.43 ' HB ' HG21 ' A' ' 58' ' ' THR . 21.5 t -80.38 107.09 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.523 ' HE2' ' CH2' ' A' ' 28' ' ' TRP . 25.7 mtpt -95.58 150.81 19.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 51' ' ' ALA . 10.1 mp -116.41 132.26 56.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.89 163.56 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.2 153.99 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.0 t -136.92 136.77 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.02 101.59 14.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.94 -11.78 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.0 p -80.51 -16.44 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.0 t -119.94 -37.3 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -82.67 107.19 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -107.87 -33.81 7.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -53.24 -39.47 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 78' ' ' ARG . 17.4 mt -88.85 -55.35 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.73 -28.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -89.4 -35.09 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 75' ' ' LEU . 42.9 ttt85 -61.85 -45.05 95.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -99.1 -19.52 17.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.56 37.23 9.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.646 HD12 HG21 ' A' ' 86' ' ' THR . 25.2 mm -66.52 103.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -128.28 -29.88 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.43 99.33 1.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.554 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -96.74 153.92 38.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.876 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.79 166.57 73.78 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.344 -0.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.646 HG21 HD12 ' A' ' 81' ' ' ILE . 33.4 m -141.68 111.96 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.165 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.7 mt -102.76 124.19 56.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -135.19 136.01 41.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.51 HG21 HD13 ' A' ' 115' ' ' LEU . 4.9 mp -105.31 135.76 42.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 38.4 m-85 -124.4 129.76 51.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -120.34 141.9 49.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 22' ' ' LEU . 2.0 tppt? -71.82 118.76 15.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.56 -39.7 2.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -108.85 167.06 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.9 p -77.6 155.83 80.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.685 0.755 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.581 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.74 163.44 38.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.388 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 1.8 m -123.05 -179.17 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -122.64 106.39 10.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.5 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.841 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ARG . 72.6 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.335 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 109' ' ' VAL . 17.2 ptt85 -37.51 -36.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m -53.21 -59.02 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.35 -53.96 30.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.1 mt -46.99 -39.81 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.752 HG22 HG23 ' A' ' 54' ' ' VAL . 47.9 t -74.1 -47.23 42.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.5 t -45.3 -45.7 12.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 114' ' ' ASP . 13.2 tpp180 -65.25 -54.22 32.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.456 ' HB1' HG13 ' A' ' 54' ' ' VAL . . . -40.98 -37.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 57' ' ' GLN . 77.7 mt -75.04 -37.89 61.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 111' ' ' ARG . 2.0 m-20 -57.68 -27.4 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.51 HD13 HG21 ' A' ' 89' ' ' ILE . 9.8 mt -95.64 -43.71 7.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -48.49 -40.52 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.1 p -67.04 -38.5 85.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -43.01 89.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' CG ' ' HD3' ' A' ' 55' ' ' LYS . 29.5 t70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 41.3 t -57.07 122.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.402 ' CD1' ' HE3' ' A' ' 63' ' ' LYS . 28.6 mt -95.08 150.75 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -109.48 127.93 54.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 20' ' ' ASN . 53.7 mt -119.75 172.09 7.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 p -133.1 -177.0 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.71 -30.46 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -101.96 -45.84 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -61.55 -30.97 71.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -47.07 -39.82 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.57 -44.84 10.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -62.29 -18.33 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.561 ' HB2' HD22 ' A' ' 12' ' ' LEU . 28.7 m-80 -104.04 -22.53 13.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' PHE . 94.2 t -101.76 -64.78 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.43 -33.2 69.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -71.77 -1.11 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t -133.87 131.54 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -77.56 4.13 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.97 157.89 18.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.25 127.32 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -115.83 111.0 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.1 mtp -86.36 108.9 18.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 17' ' ' PHE . 57.3 t -93.73 125.94 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' CG ' HD21 ' A' ' 43' ' ' LEU . 4.0 tp10 -124.35 99.49 6.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -74.88 130.16 38.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.515 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 4.9 p90 -135.61 169.39 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -123.12 132.74 24.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.536 0.684 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -13.44 34.65 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.421 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.5 p-90 -115.29 17.17 16.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 13.7 t -118.23 120.44 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -50.24 -55.17 16.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' GLY . 35.8 m170 -37.41 -46.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.515 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -58.43 -51.51 69.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -48.53 45.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -68.23 -14.0 62.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD21 ' CG ' ' A' ' 31' ' ' GLU . 11.3 tp -94.69 -20.93 19.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.4 tt0 -46.98 -59.16 5.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.652 0.739 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.5 Cg_endo -69.79 -29.11 24.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -70.22 -33.4 71.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.474 ' CZ3' HG21 ' A' ' 108' ' ' ILE . 44.5 t-105 -86.33 -42.71 13.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -52.54 -43.83 65.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.55 -50.93 18.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -45.58 -46.97 14.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.41 -48.12 65.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 m -67.73 -42.79 81.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.503 ' HG3' HG11 ' A' ' 109' ' ' VAL . 7.3 tp10 -69.01 -25.14 64.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.998 HG23 HG22 ' A' ' 109' ' ' VAL . 54.8 t -84.69 -43.88 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.153 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HD3' ' CG ' ' A' ' 8' ' ' ASP . 5.9 pttp -69.64 -24.12 63.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.6 -30.56 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.442 HE22 ' CG1' ' A' ' 109' ' ' VAL . 33.9 mt-30 -89.72 -39.4 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.841 HG22 ' HB2' ' A' ' 116' ' ' PHE . 65.8 p -82.44 19.0 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm 51.28 25.58 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.01 21.12 58.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -86.81 -68.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.611 ' HB ' HG21 ' A' ' 58' ' ' THR . 48.6 t -74.92 103.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.402 ' HE3' ' CD1' ' A' ' 10' ' ' ILE . 16.7 mtpp -92.62 151.55 20.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mp -117.57 128.23 54.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.93 170.41 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.44 156.74 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -143.12 139.46 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 99.54 12.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.468 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -55.08 -15.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.421 HG21 ' NE1' ' A' ' 36' ' ' TRP . 41.1 p -78.22 -25.03 46.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -107.99 -37.14 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.2 108.2 14.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -106.06 -37.05 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.61 -42.09 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 17' ' ' PHE . 50.9 mt -80.87 -57.93 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -41.52 -41.7 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -75.45 -44.27 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -46.66 -54.0 10.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -96.67 -21.26 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 80.23 77.19 0.97 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.679 HD12 HG21 ' A' ' 86' ' ' THR . 2.1 mm -102.21 105.11 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.102 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -126.79 24.42 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.05 90.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.538 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -93.38 154.99 41.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.673 0.749 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.79 162.92 83.21 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.337 0.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.679 HG21 HD12 ' A' ' 81' ' ' ILE . 37.2 m -139.04 105.11 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.4 mt -95.11 118.97 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -128.14 146.79 50.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.538 HG21 HD13 ' A' ' 115' ' ' LEU . 5.4 mp -113.84 137.28 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 81.5 m-85 -123.5 120.8 33.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.731 ' NE2' HD22 ' A' ' 115' ' ' LEU . 77.8 mt-30 -118.06 122.63 43.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -46.47 136.91 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.79 -44.63 3.39 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -96.31 161.0 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.366 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 m -79.78 159.67 70.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.579 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.75 156.56 63.07 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.4 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 1.1 m -121.67 176.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.86 106.43 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.476 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 68.0 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.782 0.325 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.529 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.7 ptt180 -43.1 -36.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 m -56.94 -44.95 83.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -81.38 -50.98 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.474 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 24.2 mt -48.36 -44.9 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.998 HG22 HG23 ' A' ' 54' ' ' VAL . 73.5 t -73.64 -45.94 49.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.8 t -51.86 -20.53 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -93.81 -54.69 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.2 -29.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.428 HD21 ' NE2' ' A' ' 57' ' ' GLN . 92.0 mt -64.88 -43.93 91.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.74 -42.71 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.731 HD22 ' NE2' ' A' ' 91' ' ' GLN . 6.7 mt -75.96 -41.22 52.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.841 ' HB2' HG22 ' A' ' 58' ' ' THR . 16.1 t80 -37.89 -57.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.2 t -55.35 -55.4 32.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -39.69 -45.06 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -92.57 106.4 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -171.06 155.69 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.64 -155.44 6.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -94.94 101.75 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.909 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -174.74 149.74 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.548 ' H ' ' HB1' ' A' ' 48' ' ' ALA . . . -63.84 -132.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 29.8 t70 -110.6 41.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t -77.73 121.16 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -98.98 128.92 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -91.56 121.56 33.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.3 mt -117.75 151.99 36.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.0 p -100.87 -175.53 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -79.63 -7.25 58.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -110.87 -53.8 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' LYS . 4.1 p -65.02 -33.03 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.694 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -40.88 -39.88 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -82.4 -28.89 31.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' SER . 10.9 mmtp -81.78 -8.56 59.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -105.46 -41.07 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.458 HG22 ' CG ' ' A' ' 28' ' ' TRP . 75.8 t -84.85 -65.33 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.85 -30.22 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -81.92 8.36 10.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.3 t -137.03 139.71 41.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -92.51 34.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -123.26 157.81 32.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -71.18 125.11 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.562 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 49.5 m95 -117.43 111.55 19.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.8 mtt -85.3 99.76 11.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.694 HG21 ' CE2' ' A' ' 17' ' ' PHE . 97.4 t -89.73 119.07 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -118.4 121.8 41.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CE1' HG12 ' A' ' 30' ' ' VAL . 26.8 m-85 -96.6 126.19 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -129.62 165.62 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.66 132.42 24.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.561 0.696 . . . . 0.0 111.138 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.12 9.63 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.744 2.296 . . . . 0.0 112.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -125.7 23.23 7.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.5 t -124.39 136.36 54.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' CYS . . . -75.71 -55.61 4.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -40.33 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 38' ' ' GLY . 62.3 m -88.99 -47.7 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -32.37 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -75.97 -23.42 55.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 46' ' ' GLU . 10.4 tp -90.29 -24.61 20.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.4 tp10 -35.13 -59.74 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.7 -38.33 8.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HB2' HD12 ' A' ' 43' ' ' LEU . 19.9 mm-40 -57.39 -37.27 72.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.434 ' CE2' HD23 ' A' ' 64' ' ' LEU . 57.9 t-105 -75.83 -43.53 45.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.548 ' HB1' ' H ' ' A' ' 7' ' ' GLY . . . -53.2 -55.77 21.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.93 67.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.579 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -48.62 -48.34 39.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.31 -46.07 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -69.36 -49.62 53.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.531 ' CG ' HG11 ' A' ' 109' ' ' VAL . 4.7 tp10 -60.85 -25.11 66.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.805 HG23 HG22 ' A' ' 109' ' ' VAL . 77.7 t -87.67 -43.71 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -64.31 -36.56 84.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -75.37 -34.33 61.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.656 ' HB3' HD21 ' A' ' 113' ' ' LEU . 26.4 mt-30 -79.6 -32.16 41.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.727 HG21 ' HB ' ' A' ' 62' ' ' VAL . 42.6 p -95.92 -0.1 51.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 27.83 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.41 -18.36 57.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.578 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 10.7 tppt? -50.35 -57.35 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.727 ' HB ' HG21 ' A' ' 58' ' ' THR . 36.7 t -95.68 102.64 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 3.3 mtpm? -95.35 156.72 16.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.434 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.4 mp -123.28 129.31 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.19 166.75 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.35 148.02 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.17 152.74 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -101.81 98.67 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.425 ' CB ' ' CE1' ' A' ' 84' ' ' PHE . . . -53.34 -16.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.2 p -76.08 -28.28 57.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.6 t -107.27 -28.21 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -92.19 111.32 22.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -108.19 -39.08 5.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.8 t -53.15 -49.39 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 17' ' ' PHE . 21.3 mt -75.6 -56.57 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -43.03 -41.96 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t -75.05 -40.74 60.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -45.09 -51.0 10.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -105.01 -22.25 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 88.38 79.89 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.846 HD12 HG21 ' A' ' 86' ' ' THR . 7.1 mm -104.92 103.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.112 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -124.21 -19.96 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.84 95.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.608 ' CE1' HG22 ' A' ' 81' ' ' ILE . 1.2 m-85 -96.07 154.02 38.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 0.0 110.875 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.8 155.68 93.25 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.343 0.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.846 HG21 HD12 ' A' ' 81' ' ' ILE . 6.4 m -134.09 102.17 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 48.8 mt -90.43 124.55 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -132.05 137.78 47.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.503 HD11 ' HB2' ' A' ' 99' ' ' TYR . 4.6 mp -106.69 144.71 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.14 126.36 35.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -122.3 112.38 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -50.09 113.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.77 -47.61 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -115.58 159.9 20.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.0 p -61.2 146.97 87.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.24 57.64 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.74 2.293 . . . . 0.0 112.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 16.3 m -114.19 163.27 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -107.99 113.91 27.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.503 ' HB2' HD11 ' A' ' 89' ' ' ILE . 24.0 t80 -79.71 122.91 27.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -140.02 107.24 5.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 170.6 -148.07 11.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -47.91 134.34 16.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -104.05 33.58 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' ARG . 64.8 p -121.73 135.06 54.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.579 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 18.5 ptt180 -34.47 -37.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' THR . 57.7 m -53.71 -50.05 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.7 m-20 -79.01 -51.21 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.1 mt -46.54 -44.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 54' ' ' VAL . 78.1 t -69.49 -46.79 75.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.5 t -46.38 -43.02 15.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -68.0 -56.95 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.65 -38.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 57' ' ' GLN . 80.8 mt -67.05 -46.29 74.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -51.32 -26.04 6.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 118' ' ' ASP . 38.9 mt -93.81 -45.84 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.598 ' CD1' ' HB3' ' A' ' 120' ' ' ALA . 38.8 t80 -34.47 -50.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.6 t -59.84 -45.51 92.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.7 OUTLIER -48.66 -57.33 6.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -83.83 -72.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.598 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . . . -64.11 139.91 97.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.591 0.71 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 148.99 66.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 168.1 22.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 85.9 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 125' ' ' LEU . 15.8 tt0 -171.11 117.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 125' ' ' LEU . 0.8 OUTLIER -34.12 142.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tt -169.86 134.62 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -47.46 151.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.7 p -84.49 -52.17 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 127.8 137.62 4.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 100.17 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.9 m 52.34 46.21 27.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.2 p 39.26 43.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 m -137.26 175.88 9.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.376 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 t -70.4 -54.81 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.89 138.75 6.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -106.69 -46.64 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -91.81 35.74 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 9' ' ' VAL . . . 60.98 -143.92 48.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.503 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -39.23 -29.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.586 HG23 ' HA ' ' A' ' 48' ' ' ALA . 55.5 t -68.98 132.25 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.521 ' O ' ' HB1' ' A' ' 65' ' ' ALA . 79.4 mt -102.78 132.77 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.41 125.55 38.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD22 ' O ' ' A' ' 16' ' ' SER . 15.5 mt -117.45 159.95 21.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 82.8 p -118.75 -175.68 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.34 -29.67 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -100.44 -30.83 11.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.454 ' O ' HD22 ' A' ' 12' ' ' LEU . 25.0 m -92.81 16.62 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.682 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -101.29 -25.44 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -92.55 -54.18 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -64.07 -6.53 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -104.29 -32.85 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.519 HG22 ' CB ' ' A' ' 28' ' ' TRP . 72.5 t -97.34 -63.43 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.43 -55.99 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.21 -13.41 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -107.82 137.99 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -86.16 -4.53 59.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.39 153.13 21.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -71.28 132.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.519 ' CB ' HG22 ' A' ' 21' ' ' VAL . 54.2 m95 -121.38 117.85 27.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.5 mtt -93.46 104.52 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.682 HG21 ' CE2' ' A' ' 17' ' ' PHE . 61.9 t -90.35 124.26 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -123.84 103.78 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -77.41 127.94 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 1.9 p90 -141.37 163.27 33.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -122.34 139.35 30.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.42 18.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.595 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.3 p-90 -114.37 0.52 14.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.644 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 3.1 t -93.2 118.53 31.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.86 -28.86 64.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -69.63 -20.85 63.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' LEU . 89.7 m -96.24 -41.44 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -47.0 -31.05 2.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -73.7 -31.1 63.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.7 tp -83.5 -21.22 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.2 tt0 -37.65 -58.67 1.26 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.593 0.711 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.72 -42.3 3.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' OE2' HG22 ' A' ' 104' ' ' THR . 22.1 mt-10 -55.36 -34.55 64.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -78.49 -41.18 33.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.586 ' HA ' HG23 ' A' ' 9' ' ' VAL . . . -55.05 -47.53 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.21 -51.76 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -44.16 -40.8 5.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.44 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -68.91 -29.5 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.656 ' HG3' HG11 ' A' ' 109' ' ' VAL . 11.9 tp10 -79.5 -23.15 43.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.461 HG23 HG22 ' A' ' 109' ' ' VAL . 48.9 t -88.08 -42.72 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.7 pttm -69.72 -16.61 63.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -90.75 -35.97 14.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.668 ' HB3' HD21 ' A' ' 113' ' ' LEU . 36.1 mt-30 -84.62 -37.66 20.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.564 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 25.8 p -88.74 21.61 2.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp 53.39 31.13 11.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 74.35 18.1 79.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.489 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.684 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 42.2 tptt -77.56 -60.57 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.8 t -82.04 112.54 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -97.32 148.3 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mp -114.07 122.96 48.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 10' ' ' ILE . . . -123.21 161.54 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.13 151.44 49.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.505 HG13 ' ND2' ' A' ' 72' ' ' ASN . 98.3 t -140.51 153.45 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' N ' HG12 ' A' ' 67' ' ' VAL . 10.9 t0 -106.45 106.96 17.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.463 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -53.32 -15.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.409 HG21 ' HE1' ' A' ' 36' ' ' TRP . 42.1 p -76.99 -28.7 55.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.93 -31.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.63 ' OD1' HD12 ' A' ' 75' ' ' LEU . 2.9 m-80 -89.46 109.9 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -108.64 -35.47 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.62 -41.65 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.63 HD12 ' OD1' ' A' ' 72' ' ' ASN . 16.8 mt -80.36 -51.18 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.33 -25.67 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 t -90.27 -32.23 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -62.46 -41.5 98.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -108.76 -22.28 12.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.84 49.19 3.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.813 HD12 HG21 ' A' ' 86' ' ' THR . 28.0 mm -74.24 103.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 0.0 111.148 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -126.52 -27.13 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.57 98.74 1.9 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.579 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -99.93 154.02 37.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.75 163.0 82.93 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.343 -0.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.813 HG21 HD12 ' A' ' 81' ' ' ILE . 92.1 m -138.14 105.66 5.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.8 mt -97.63 115.19 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -127.88 134.48 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.494 HD12 ' N ' ' A' ' 89' ' ' ILE . 4.4 mp -103.56 134.62 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 91.4 m-85 -122.73 122.18 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -105.76 156.61 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -71.63 117.47 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.35 -39.1 2.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.47 156.55 32.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -74.76 143.46 78.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 0.0 110.817 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.57 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.0 Cg_endo -69.72 153.81 68.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.43 HG23 ' HB ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -120.67 175.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.88 108.34 13.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.455 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 41.9 t80 -74.54 113.79 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -121.05 42.42 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -98.03 -154.02 29.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.57 170.24 46.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -113.73 49.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 106' ' ' SER . 60.5 p -137.96 131.82 31.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.808 ' O ' HG23 ' A' ' 109' ' ' VAL . 20.9 ptt180 -35.87 -33.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' THR . 26.1 m -56.71 -58.9 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.45 -56.15 16.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.4 mt -43.83 -42.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 105' ' ' ARG . 89.6 t -72.12 -46.31 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.5 t -49.6 -46.13 48.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.439 HH12 HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -66.52 -56.33 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -39.61 -35.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 57' ' ' GLN . 23.1 mt -64.59 -46.3 83.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -53.41 -45.0 69.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 89' ' ' ILE . 8.6 mt -73.87 -39.67 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.564 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 10.8 t80 -42.2 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -48.06 -56.66 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -44.13 -43.28 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -87.91 -74.77 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.684 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -56.04 154.55 14.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.556 0.693 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 110.85 2.66 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.712 2.274 . . . . 0.0 112.349 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.73 52.32 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.827 ' HG2' HD13 ' A' ' 125' ' ' LEU . 53.9 Cg_endo -69.74 171.32 14.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.228 . . . . 0.0 112.354 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.461 ' C ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -68.55 92.29 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.827 HD13 ' HG2' ' A' ' 123' ' ' PRO . 6.4 mp -136.23 166.43 23.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.25 84.34 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -161.47 147.08 13.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.1 t -65.15 158.2 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -97.66 -157.29 30.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 131' ' ' SER . 53.7 Cg_endo -69.75 -0.03 6.32 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 130' ' ' PRO . 5.7 t -38.21 -55.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 t 61.91 51.12 3.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.495 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -56.98 135.53 56.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 p -84.56 110.62 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.74 159.32 22.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.431 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -120.96 -52.4 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -91.95 -43.57 9.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.88 -146.25 4.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.441 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 22.9 t70 -93.01 8.85 38.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 2.4 t -61.62 114.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -92.12 151.51 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -113.76 129.25 56.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.405 HD22 ' HB2' ' A' ' 20' ' ' ASN . 13.1 mt -115.16 169.18 9.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 m -126.69 161.88 27.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -43.21 -44.9 5.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -95.12 -13.19 25.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -104.82 15.8 27.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.854 ' CE2' HG21 ' A' ' 30' ' ' VAL . 2.0 t80 -90.21 -35.5 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.469 ' HB3' HD12 ' A' ' 22' ' ' LEU . 16.6 m-20 -86.21 -50.83 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.22 -14.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.455 ' O ' ' NE1' ' A' ' 28' ' ' TRP . 6.9 m-80 -105.7 -26.97 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.815 HG22 ' CB ' ' A' ' 28' ' ' TRP . 52.4 t -103.04 -63.62 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 18' ' ' ASP . 16.3 mt -59.48 -59.78 4.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -14.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -105.7 127.87 53.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -74.83 -4.12 35.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.95 156.23 19.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.529 ' CG2' ' CG ' ' A' ' 119' ' ' ASN . 54.2 t -76.02 130.91 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.815 ' CB ' HG22 ' A' ' 21' ' ' VAL . 42.7 m95 -119.47 120.2 36.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 mtp -94.79 105.18 17.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.854 HG21 ' CE2' ' A' ' 17' ' ' PHE . 99.3 t -90.76 129.82 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -126.52 100.76 6.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.585 ' CB ' HG21 ' A' ' 81' ' ' ILE . 58.3 m-85 -74.59 112.34 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.1 p90 -116.73 168.02 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.624 ' HB2' ' HD2' ' A' ' 84' ' ' PHE . . . -123.01 132.52 24.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 70' ' ' THR . 53.5 Cg_endo -69.74 -3.96 13.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 -126.08 10.11 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 44.2 t -103.28 141.98 34.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -73.23 -57.95 4.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.462 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . 51.3 m-70 -36.35 -40.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -66.16 -57.2 8.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -40.39 -37.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -84.11 -29.86 26.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' CYS . 43.0 tp -79.63 -16.78 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 tt0 -50.68 -58.62 9.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.76 -25.34 28.69 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -75.77 -30.63 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -82.71 -37.61 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -60.25 -47.18 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.77 -47.66 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -53.28 -36.47 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 8' ' ' ASP . . . -59.32 -46.81 87.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -72.63 -34.09 67.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.537 ' HG2' HG21 ' A' ' 109' ' ' VAL . 9.2 tp10 -74.65 -27.48 60.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.647 HG23 HG22 ' A' ' 109' ' ' VAL . 55.7 t -83.46 -36.84 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -74.36 -18.76 60.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -89.47 -29.31 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.701 ' HB3' HD21 ' A' ' 113' ' ' LEU . 30.5 mt-30 -91.97 -27.65 17.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 54' ' ' VAL . 17.3 p -102.9 8.93 39.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.18 34.58 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.73 -6.18 66.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.957 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 41.8 tptt -53.86 -63.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.418 HG13 ' CG1' ' A' ' 27' ' ' VAL . 11.7 t -83.19 110.52 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 32.1 mttp -93.71 157.62 16.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -129.01 121.8 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.61 171.76 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.09 155.77 47.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.0 t -140.84 130.78 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.653 ' HB2' HG12 ' A' ' 71' ' ' VAL . 1.3 m-20 -80.0 104.5 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -60.96 -9.51 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 35.8 p -84.15 -25.26 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.143 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.653 HG12 ' HB2' ' A' ' 68' ' ' ASP . 8.5 p -112.64 -21.49 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.453 HD22 HG13 ' A' ' 71' ' ' VAL . 3.1 m-80 -96.9 112.78 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -114.65 -35.47 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.49 -38.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.515 HD13 ' CD2' ' A' ' 17' ' ' PHE . 13.2 mt -90.25 -52.41 4.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.23 -40.7 34.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.5 t -76.37 -20.86 56.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 47.0 ttt-85 -69.79 -44.4 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CZ ' ' HD3' ' A' ' 78' ' ' ARG . 10.7 m-85 -103.56 -19.06 14.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.9 38.17 7.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.848 HG22 ' HE1' ' A' ' 84' ' ' PHE . 37.3 mm -66.68 102.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -123.66 -31.21 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.11 101.4 2.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.848 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -98.69 153.97 37.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.909 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.76 164.16 79.97 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.381 0.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.589 HG21 HD12 ' A' ' 81' ' ' ILE . 3.6 m -141.52 105.25 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.7 mt -95.19 122.92 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -130.87 136.55 48.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.596 HG21 HD13 ' A' ' 115' ' ' LEU . 4.1 mp -105.4 137.39 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 79.0 m-85 -127.09 128.34 46.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -125.86 129.46 49.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.461 ' CE ' ' O ' ' A' ' 22' ' ' LEU . 17.4 tptp -56.7 127.07 29.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.48 -48.54 1.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.442 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -92.29 156.95 16.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 64.1 p -74.04 148.61 86.87 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.589 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.1 Cg_endo -69.71 146.11 59.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.87 172.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -111.91 114.29 27.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 19.4 t80 -72.6 143.08 48.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -156.38 149.41 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 131.01 -137.27 9.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.79 148.41 46.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -111.35 38.84 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 106' ' ' SER . 74.4 p -119.99 137.23 54.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.611 ' O ' HG23 ' A' ' 109' ' ' VAL . 25.6 ptt-85 -35.4 -33.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' THR . 2.5 t -57.08 -57.66 11.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -68.21 -54.26 19.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.8 mt -44.01 -37.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.647 HG22 HG23 ' A' ' 54' ' ' VAL . 54.9 t -76.5 -46.72 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.9 t -46.31 -45.68 17.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 114' ' ' ASP . 12.8 tpp180 -62.47 -62.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -34.12 -39.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.701 HD21 ' HB3' ' A' ' 57' ' ' GLN . 31.2 mt -68.52 -48.42 64.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 111' ' ' ARG . 1.6 m-20 -48.39 -34.7 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.596 HD13 HG21 ' A' ' 89' ' ' ILE . 8.1 mt -87.57 -45.64 10.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 16.5 t80 -44.29 -55.38 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 116' ' ' PHE . 68.5 m -34.48 -45.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 119' ' ' ASN . 15.9 t70 -84.81 -67.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.529 ' CG ' ' CG2' ' A' ' 27' ' ' VAL . 38.6 m-80 -34.7 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.957 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -61.51 165.63 6.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.534 0.683 . . . . 0.0 111.123 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.742 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.81 114.61 3.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.646 2.231 . . . . 0.0 112.357 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 121' ' ' PRO . 53.8 Cg_endo -69.71 155.27 66.55 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 125' ' ' LEU . 53.5 Cg_endo -69.82 167.03 25.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -47.51 93.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.605 HD13 ' N ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -134.81 140.51 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.605 ' N ' HD13 ' A' ' 125' ' ' LEU . 4.1 pp -51.67 149.99 4.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -81.61 116.73 21.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.3 t -60.15 -40.36 89.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.04 178.38 20.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -10.11 27.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.9 t 72.61 38.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.3 t -77.12 -46.86 22.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -124.19 100.95 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -167.34 147.2 5.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.03 39.25 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m 61.73 38.63 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.3 m -174.84 116.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.0 -145.42 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.9 27.15 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.9 129.39 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 28.9 mt -96.03 135.88 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -99.57 128.31 45.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD22 ' O ' ' A' ' 16' ' ' SER . 55.1 mt -121.23 163.51 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -126.81 178.69 5.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -58.94 -22.51 60.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.55 -23.73 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.497 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.3 t -99.98 17.35 21.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -100.38 -30.7 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -52.75 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -62.46 -8.99 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -105.72 -26.09 11.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.646 HG22 ' CG ' ' A' ' 28' ' ' TRP . 22.7 t -101.71 -57.35 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 21' ' ' VAL . 7.8 mt -64.41 -30.0 71.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -76.87 6.89 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -134.68 138.72 44.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -88.56 25.63 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.18 158.08 21.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.9 t -71.88 129.21 35.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.646 ' CG ' HG22 ' A' ' 21' ' ' VAL . 40.8 m95 -118.96 111.32 18.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.62 112.46 21.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.445 HG21 ' CE2' ' A' ' 17' ' ' PHE . 58.5 t -101.12 110.61 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 86' ' ' THR . 4.7 tp10 -109.29 104.62 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -74.62 124.73 27.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.529 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 1.5 p90 -135.67 162.73 31.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.09 138.64 30.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.636 0.731 . . . . 0.0 111.074 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -14.53 36.19 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.311 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.482 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.3 p-90 -110.63 7.37 22.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 42.2 t -103.42 127.11 50.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.26 -56.69 23.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.476 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . 24.2 m80 -38.83 -41.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -67.1 -52.96 35.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -45.55 -44.41 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -76.5 -29.26 56.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -79.6 -19.35 49.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tt0 -41.87 -58.42 3.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.683 0.754 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.75 -43.76 2.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.55 -31.49 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -87.08 -32.76 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.72 -50.23 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.4 76.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.703 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -51.31 -43.05 61.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -38.47 70.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -78.01 -41.8 34.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' HB3' HG21 ' A' ' 109' ' ' VAL . 6.8 tp10 -67.29 -24.84 65.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.971 HG23 HG22 ' A' ' 109' ' ' VAL . 42.1 t -85.35 -48.13 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -65.0 -20.9 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.14 -30.17 22.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.781 ' HB3' HD21 ' A' ' 113' ' ' LEU . 31.5 mt-30 -89.83 -26.58 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 116' ' ' PHE . 48.1 p -99.26 5.15 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 61.84 27.42 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.16 -13.81 66.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.687 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -50.54 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' HB ' HG21 ' A' ' 58' ' ' THR . 42.1 t -79.97 106.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HE2' ' CZ2' ' A' ' 28' ' ' TRP . 17.0 mtpp -95.55 154.45 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -122.93 121.78 36.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . . . -126.6 152.98 45.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.71 156.55 25.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.1 t -143.97 137.9 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.509 ' CG ' ' HG1' ' A' ' 70' ' ' THR . 53.5 t0 -89.08 106.57 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.31 -11.78 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.509 ' HG1' ' CG ' ' A' ' 68' ' ' ASP . 30.4 p -84.67 -20.85 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.7 t -110.79 -35.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -90.15 109.36 20.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -106.87 -39.44 5.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.5 t -54.85 -40.98 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 17' ' ' PHE . 5.4 mt -83.24 -48.83 10.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.89 -40.89 44.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.3 t -78.11 -39.06 42.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -49.43 -51.94 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -100.52 -18.86 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.43 80.74 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.507 HG22 ' CE1' ' A' ' 84' ' ' PHE . 13.2 mm -109.11 107.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -124.8 -24.89 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.32 98.5 1.37 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -98.22 154.19 37.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.861 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.71 162.23 84.42 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.357 -0.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.486 HG21 HD12 ' A' ' 81' ' ' ILE . 2.5 m -138.16 108.08 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 mt -98.43 121.7 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -133.22 130.11 38.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.493 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 3.6 mp -92.09 140.24 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -125.59 106.61 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -93.81 163.72 13.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -92.08 110.28 21.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.61 -43.61 1.66 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -98.35 158.5 15.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.7 p -68.24 151.08 97.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.7 57.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.493 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 15.6 m -103.5 172.81 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -113.25 112.02 23.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -79.59 133.5 36.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -148.78 132.24 16.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 152.72 -131.88 3.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.48 147.59 42.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.429 ' HD3' ' CG ' ' A' ' 85' ' ' PRO . 30.4 mtt85 -110.02 33.64 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 106' ' ' SER . 44.3 p -119.15 135.92 54.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.703 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 28.9 ptt180 -34.63 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 104' ' ' THR . 4.8 t -56.1 -57.63 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -70.82 -51.67 25.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.6 mt -47.37 -37.85 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.971 HG22 HG23 ' A' ' 54' ' ' VAL . 36.0 t -78.77 -47.22 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 t -49.07 -34.27 13.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -74.32 -51.64 14.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.81 -37.35 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' A' ' 57' ' ' GLN . 65.9 mt -65.47 -53.38 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -43.93 -35.89 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.0 mt -88.24 -42.07 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.64 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 22.5 t80 -42.79 -35.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.3 t -74.35 -50.33 19.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -44.02 -46.57 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -96.0 -75.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.687 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -57.74 143.08 77.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.085 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 123.54 10.22 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.258 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 164.23 35.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 131.33 20.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.258 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -86.18 99.9 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -119.89 150.98 39.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.9 tp -78.04 144.16 36.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -47.04 135.08 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 43.5 m -142.06 146.0 34.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -149.69 -163.72 11.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 160.56 49.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.254 . . . . 0.0 112.374 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 45.3 t -152.23 106.5 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 t -86.82 127.71 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -80.76 104.04 11.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -59.0 91.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.05 -151.13 43.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -130.35 41.23 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.375 . . . . 0.0 110.826 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -147.89 175.42 10.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.02 -140.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -85.64 28.25 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 41.1 t -78.98 125.85 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.4 mt -97.1 143.24 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -101.93 136.72 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 mt -120.98 173.63 7.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.602 HG22 ' H ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -128.85 173.23 10.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.602 ' H ' HG22 ' A' ' 13' ' ' THR . 4.5 p-10 -65.57 -12.24 51.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -116.91 -44.14 2.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.415 ' HB3' ' ND2' ' A' ' 20' ' ' ASN . 12.9 m -72.23 -23.13 61.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CE2' HG21 ' A' ' 30' ' ' VAL . 1.3 t80 -44.41 -40.84 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.33 -36.54 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 22.4 mmmt -63.61 -18.07 63.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 16' ' ' SER . 13.4 m-80 -105.89 -34.83 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 17' ' ' PHE . 83.0 t -83.63 -64.93 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.49 -37.35 78.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 19' ' ' LYS . 31.1 t0 -65.95 -4.81 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -125.81 134.45 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -84.59 28.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -118.48 158.03 26.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.532 ' CG2' ' ND2' ' A' ' 119' ' ' ASN . 39.7 t -71.0 126.5 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' HB2' HG13 ' A' ' 21' ' ' VAL . 34.6 m95 -116.31 111.12 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 mtp -82.86 102.02 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.595 HG21 ' CE2' ' A' ' 17' ' ' PHE . 20.6 t -91.9 122.5 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -120.73 127.66 52.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.483 ' CB ' HG21 ' A' ' 81' ' ' ILE . 25.7 m-85 -98.69 122.2 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 4.6 p90 -129.98 169.92 14.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -123.12 130.71 24.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.523 0.678 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.68 19.17 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -121.99 16.28 10.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 20.2 t -117.0 123.91 48.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.33 -34.59 85.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -54.14 -20.37 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -95.68 -51.5 4.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -42.41 -29.56 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.33 -29.53 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' CYS . 9.9 tp -80.51 -23.99 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tp10 -35.94 -59.98 0.72 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.693 0.759 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.2 Cg_endo -69.78 -38.79 7.28 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.319 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' OE2' HG22 ' A' ' 104' ' ' THR . 5.4 mm-40 -58.35 -31.68 67.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.435 ' HE3' HD13 ' A' ' 108' ' ' ILE . 60.1 t-105 -85.05 -38.45 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -58.89 -57.61 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.68 -52.23 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.821 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -47.99 -38.52 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.1 86.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -68.09 -42.6 80.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.476 ' CG ' HG11 ' A' ' 109' ' ' VAL . 8.6 tp10 -66.0 -31.26 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.833 HG23 HG22 ' A' ' 109' ' ' VAL . 97.6 t -80.67 -39.19 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -68.44 -34.3 75.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.93 -30.51 61.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -84.38 -56.22 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.568 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 19.9 p -73.8 3.93 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm 62.1 31.23 17.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.02 -11.59 66.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -68.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 112' ' ' ALA . 38.3 t -77.87 103.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -88.96 152.15 21.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.48 125.29 47.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.88 164.34 25.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.26 161.02 27.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.7 t -143.31 141.85 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.0 103.17 15.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.83 -12.05 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.0 p -83.95 -14.39 51.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.4 t -119.33 -35.93 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -86.98 109.51 19.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -106.1 -39.24 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -53.59 -50.34 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.28 -50.11 23.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.05 -35.1 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -84.33 -26.66 28.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.454 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 18.2 ttt85 -64.08 -41.78 97.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 39.6 m-85 -111.24 -22.52 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.33 75.13 1.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.658 HG22 ' CE1' ' A' ' 84' ' ' PHE . 21.1 mm -99.87 102.23 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -124.86 -29.11 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.38 101.18 1.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.658 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -98.95 153.91 37.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.901 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.4 Cg_endo -69.85 163.95 80.73 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.346 0.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.605 HG21 HD12 ' A' ' 81' ' ' ILE . 38.3 m -140.87 106.55 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 mt -97.0 126.8 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -132.24 139.89 48.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.8 mp -106.9 137.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 3.1 m-85 -126.69 134.32 50.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.486 HE22 HD22 ' A' ' 115' ' ' LEU . 63.9 mt-30 -132.45 128.76 38.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -50.15 145.24 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.88 12.98 16.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -139.93 161.32 37.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.5 p -86.73 146.36 41.08 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.407 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.78 141.66 45.76 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 6.6 m -108.51 161.11 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 1.6 p-10 -103.65 111.7 24.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -68.11 135.87 52.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -140.36 118.58 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 159.76 -140.48 6.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.99 131.03 10.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -84.52 32.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.417 HG22 ' OE2' ' A' ' 46' ' ' GLU . 75.0 p -105.23 135.67 46.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.578 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 21.4 ptt180 -38.6 -35.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.2 m -53.42 -57.94 8.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -72.68 -52.16 16.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.435 HD13 ' HE3' ' A' ' 47' ' ' TRP . 62.7 mt -43.7 -39.27 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.833 HG22 HG23 ' A' ' 54' ' ' VAL . 41.5 t -76.75 -48.05 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.8 t -48.11 -42.82 30.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -63.84 -62.5 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.513 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -41.05 -32.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.93 -48.17 66.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -51.09 -40.62 58.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.486 HD22 HE22 ' A' ' 91' ' ' GLN . 25.4 mt -77.44 -47.96 18.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.696 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 29.5 t80 -45.64 -38.2 6.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.9 p -52.94 -42.08 65.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -80.53 -57.87 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.532 ' ND2' ' CG2' ' A' ' 27' ' ' VAL . 17.8 m-80 -48.23 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.696 ' HB3' ' CE1' ' A' ' 116' ' ' PHE . . . -69.73 147.97 96.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 111.113 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 138.86 38.86 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.355 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 165.72 29.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.388 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -173.43 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -81.6 90.39 6.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.38 170.0 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 tp -128.06 71.69 1.38 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -170.41 172.89 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.8 t -72.85 -53.67 10.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 71.05 85.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 104.19 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.0 t -151.19 178.05 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 133' ' ' GLY . 1.8 m 57.85 44.34 20.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.832 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 132' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -109.95 126.12 53.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -131.12 165.23 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.61 87.78 0.94 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -59.21 -50.78 72.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -106.54 -51.41 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.17 -141.61 3.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 27.2 t70 -98.18 26.02 5.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.83 0.348 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 t -78.91 127.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -103.12 144.04 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -104.3 120.57 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 20' ' ' ASN . 79.2 mt -104.6 172.98 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 14' ' ' ASP . 2.3 m -129.73 170.11 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.571 ' H ' HG22 ' A' ' 13' ' ' THR . 3.3 p30 -55.72 -27.03 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -109.2 -43.98 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -59.61 -34.07 72.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.794 ' HE2' HG21 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -50.79 -19.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -86.19 -56.06 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -71.65 -3.05 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.518 ' O ' ' CE2' ' A' ' 28' ' ' TRP . 4.1 m-80 -104.85 -33.26 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 ' CB ' ' A' ' 28' ' ' TRP . 64.1 t -104.54 -60.08 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.81 -56.56 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.38 -10.31 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 t -107.22 107.76 18.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -56.54 -15.13 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.85 158.06 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.414 ' HB ' HG13 ' A' ' 62' ' ' VAL . 58.9 t -75.36 137.64 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.586 ' CB ' HG22 ' A' ' 21' ' ' VAL . 24.7 m95 -124.69 117.71 24.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.7 mtp -94.23 104.73 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.794 HG21 ' HE2' ' A' ' 17' ' ' PHE . 64.9 t -90.15 127.55 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.567 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 6.4 tp10 -123.19 98.01 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -70.56 125.85 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 4.7 p90 -133.9 166.86 21.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.18 130.33 24.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -11.26 30.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -115.76 17.39 16.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 t -121.65 138.66 54.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' CYS . . . -68.25 -48.0 55.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -43.47 -22.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -91.39 -47.93 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -50.8 -33.14 22.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.26 -25.84 29.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.786 HD13 ' HG3' ' A' ' 103' ' ' ARG . 22.0 tp -82.12 -19.13 40.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 5.0 tp10 -41.87 -60.26 2.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.7 -37.63 9.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.382 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' HB2' HD12 ' A' ' 43' ' ' LEU . 69.4 mt-10 -60.48 -32.51 71.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 52.8 t-105 -86.76 -41.21 14.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.91 -53.78 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -50.29 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.678 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -44.69 -53.36 7.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.89 -39.58 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -73.3 -35.23 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.572 ' HB3' HG21 ' A' ' 109' ' ' VAL . 14.5 tp10 -77.86 -24.04 48.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.921 HG23 HG22 ' A' ' 109' ' ' VAL . 55.2 t -80.3 -41.48 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -74.68 -25.26 59.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.08 -25.0 43.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.594 ' HB3' HD21 ' A' ' 113' ' ' LEU . 32.5 mt-30 -98.86 -37.58 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 54' ' ' VAL . 9.1 p -86.15 11.26 12.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt 60.77 25.13 14.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.79 -1.55 85.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 25.6 tptt -61.21 -74.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.414 HG13 ' HB ' ' A' ' 27' ' ' VAL . 3.7 t -70.12 108.61 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -95.09 154.33 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -121.12 120.23 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.93 165.0 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.98 154.61 42.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.523 HG23 HG13 ' A' ' 30' ' ' VAL . 60.4 t -135.3 138.5 48.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -90.6 94.66 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.51 -15.49 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.7 p -76.44 -27.5 56.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.7 -38.33 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.2 108.88 16.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -105.67 -37.58 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.32 -47.48 77.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.72 -56.58 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.76 -44.91 28.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.8 t -72.59 -26.68 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -67.41 -43.86 80.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -101.7 -15.64 16.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 78.69 53.83 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.77 HD12 HG21 ' A' ' 86' ' ' THR . 22.6 mm -84.97 102.87 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 111.149 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.68 -23.09 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.11 102.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.686 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -101.04 153.98 37.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.79 166.09 75.05 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.304 0.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.77 HG21 HD12 ' A' ' 81' ' ' ILE . 33.0 m -141.88 106.87 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.3 mt -98.04 113.2 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -123.99 143.58 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.438 ' HB ' HG23 ' A' ' 97' ' ' VAL . 4.1 mp -106.02 143.96 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 29.0 m-85 -133.53 131.31 39.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -123.21 162.36 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.93 139.19 37.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 60.72 15.88 43.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -136.79 176.43 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.377 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -100.48 150.32 36.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.686 0.755 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.503 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.4 Cg_endo -69.82 146.11 58.83 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.438 HG23 ' HB ' ' A' ' 89' ' ' ILE . 4.0 m -119.63 166.38 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -98.17 117.35 32.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.424 ' CG ' ' N ' ' A' ' 100' ' ' ASP . 75.3 t80 -53.46 161.92 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.424 ' N ' ' CG ' ' A' ' 99' ' ' TYR . 14.1 t0 -57.34 -63.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.53 -6.9 1.27 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.57 97.14 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.786 ' HG3' HD13 ' A' ' 43' ' ' LEU . 12.5 ttp-105 -78.26 48.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ARG . 24.6 p -147.7 129.05 14.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.678 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.3 ptt180 -37.09 -37.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.6 m -55.34 -55.58 29.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -70.72 -54.02 13.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.442 HD13 ' CE3' ' A' ' 47' ' ' TRP . 49.4 mt -45.22 -43.09 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.921 HG22 HG23 ' A' ' 54' ' ' VAL . 78.6 t -77.64 -47.27 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.0 t -47.99 -35.03 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -47.32 16.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.99 -40.25 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 57' ' ' GLN . 19.3 mt -57.66 -40.69 79.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.5 -41.82 77.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.6 -33.79 62.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.643 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 46.3 t80 -48.62 -67.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' ASP . 71.2 m -49.4 -52.99 24.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' SER . 5.3 m-20 -36.28 -45.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.82 -74.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.643 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . . . -45.81 142.29 3.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.522 0.677 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 164.07 35.89 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.52 45.63 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.343 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 105.82 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.24 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.85 172.49 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.14 172.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -146.05 150.82 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -145.38 133.02 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.7 t -122.22 125.86 46.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -86.04 -156.97 28.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.81 33.01 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.6 p -65.85 106.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.1 m -139.72 159.06 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -103.31 105.09 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -114.65 168.14 10.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.66 -83.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.539 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 p -92.58 42.91 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 m -140.78 168.63 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.63 -125.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -113.86 16.23 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -68.03 142.63 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.406 ' CD1' ' NZ ' ' A' ' 63' ' ' LYS . 77.7 mt -113.38 135.74 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -97.54 128.62 44.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.423 HD22 ' O ' ' A' ' 16' ' ' SER . 38.2 mt -119.78 166.16 13.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.56 HG22 ' N ' ' A' ' 14' ' ' ASP . 10.5 m -128.43 166.55 18.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.191 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.56 ' N ' HG22 ' A' ' 13' ' ' THR . 1.3 p-10 -46.19 -35.92 5.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -100.43 -31.46 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' HD22 ' A' ' 12' ' ' LEU . 9.2 t -89.22 15.24 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -103.62 -29.31 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.6 -44.6 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -72.77 -6.92 47.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -103.39 -33.0 9.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.639 HG22 ' CG ' ' A' ' 28' ' ' TRP . 61.5 t -99.73 -57.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.86 -35.46 74.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.87 0.52 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 t -125.48 142.2 51.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -94.23 30.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.41 157.79 25.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.584 HG23 ' NZ ' ' A' ' 61' ' ' LYS . 57.4 t -71.67 123.37 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.639 ' CG ' HG22 ' A' ' 21' ' ' VAL . 49.4 m95 -114.19 111.11 21.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.3 mtp -88.02 99.05 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.551 HG21 ' CE2' ' A' ' 17' ' ' PHE . 86.1 t -89.77 119.84 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' CD ' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -115.1 106.52 14.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CG ' HG21 ' A' ' 81' ' ' ILE . 25.5 m-85 -77.52 135.53 38.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.6 p90 -144.01 163.95 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -122.11 138.15 28.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.96 22.38 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.251 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -120.58 19.94 11.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 14.7 t -116.29 121.5 42.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.68 -43.88 73.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -51.57 -19.25 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 67.3 m -96.11 -47.1 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -48.36 -33.1 8.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -76.66 -27.55 55.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 46' ' ' GLU . 10.8 tp -84.74 -19.99 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 tt0 -38.73 -58.57 1.61 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.611 0.719 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.78 -32.14 19.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.761 ' OE2' HG22 ' A' ' 104' ' ' THR . 63.6 mt-10 -66.91 -28.01 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.528 ' CE3' HD13 ' A' ' 108' ' ' ILE . 64.6 t-105 -87.23 -39.39 15.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.91 -60.84 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.1 -53.84 37.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.892 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -44.69 -52.8 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.54 -33.35 6.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -80.39 -46.2 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.539 ' HG3' HG11 ' A' ' 109' ' ' VAL . 7.0 tp10 -67.02 -22.11 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.649 HG23 HG22 ' A' ' 109' ' ' VAL . 54.8 t -86.27 -43.45 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -68.99 -21.79 64.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -82.87 -40.96 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.639 ' HB3' HD21 ' A' ' 113' ' ' LEU . 36.6 mt-30 -78.62 -43.7 25.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 54' ' ' VAL . 8.5 p -82.41 9.84 8.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt 56.43 26.16 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.49 -7.68 79.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.584 ' NZ ' HG23 ' A' ' 27' ' ' VAL . 25.2 tptp -52.34 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 t -82.61 104.9 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 3.2 mtpm? -91.46 154.99 18.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mp -121.4 129.85 53.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.93 162.99 31.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.45 168.95 12.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.412 HG13 ' ND2' ' A' ' 72' ' ' ASN . 99.3 t -154.51 139.72 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.02 99.83 12.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.5 -18.06 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 64.3 p -71.55 -27.51 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.2 t -110.04 -29.03 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.412 ' ND2' HG13 ' A' ' 67' ' ' VAL . 5.8 m-80 -88.33 107.27 18.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -108.49 -33.35 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.9 t -59.3 -39.98 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' A' ' 17' ' ' PHE . 11.3 mt -85.84 -55.14 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.99 -27.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -85.01 -39.7 17.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.0 ttt-85 -54.19 -47.99 71.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 88' ' ' LYS . 2.8 m-85 -100.34 -21.54 15.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.76 40.09 8.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.707 HD12 HG21 ' A' ' 86' ' ' THR . 23.9 mm -64.53 104.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.777 0.322 . . . . 0.0 111.166 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -129.57 -30.46 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.84 93.81 1.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -94.18 153.99 40.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.76 153.65 93.03 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.374 0.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.707 HG21 HD12 ' A' ' 81' ' ' ILE . 32.2 m -132.35 123.86 27.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.1 mt -116.87 134.56 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 79' ' ' TYR . 15.3 mmtp -140.22 136.23 33.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.532 HD12 ' N ' ' A' ' 89' ' ' ILE . 4.0 mp -101.56 134.04 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -118.95 114.52 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -110.67 115.84 30.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -56.95 111.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.92 -46.27 1.09 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -120.87 171.25 8.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 p -61.2 155.48 56.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 176.2 7.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 98' ' ' ASP . 39.8 t -131.16 160.48 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.533 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 6.0 p-10 -116.09 105.73 12.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.523 ' HB2' HD11 ' A' ' 89' ' ' ILE . 49.8 t80 -79.67 126.59 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -133.57 69.25 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -123.84 -151.83 8.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.844 ' O ' HG23 ' A' ' 104' ' ' THR . . . -80.05 7.03 57.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.624 ' O ' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER 38.83 25.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.815 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 102' ' ' GLY . 74.7 p -97.52 136.11 38.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.892 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 19.1 ptt180 -37.81 -33.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.4 m -69.42 -45.12 69.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.3 m-20 -78.57 -52.26 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.624 HD11 ' O ' ' A' ' 103' ' ' ARG . 41.3 mt -48.62 -46.76 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 105' ' ' ARG . 76.3 t -64.7 -46.27 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -56.34 -26.63 53.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -85.62 -58.47 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.01 -42.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 57' ' ' GLN . 77.0 mt -57.72 -47.75 81.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -44.63 -46.89 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 89' ' ' ILE . 15.9 mt -72.64 -46.22 55.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' A' ' 120' ' ' ALA . 69.6 t80 -39.37 -55.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.2 p -54.0 -41.31 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -58.67 -64.2 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -74.82 -74.94 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.586 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . . . -67.98 154.0 94.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 111.146 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 153.54 68.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.697 2.264 . . . . 0.0 112.332 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 154.34 68.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 124' ' ' GLU . 53.4 Cg_endo -69.81 -179.46 2.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.264 . . . . 0.0 112.283 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 123' ' ' PRO . 7.7 pt-20 37.44 52.56 1.28 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.773 HD13 ' H ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -70.07 -175.11 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.58 97.49 5.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -78.69 -45.22 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.1 t -40.93 126.32 2.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -43.05 138.7 3.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -35.82 11.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -92.18 167.37 12.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.8 m -91.59 -43.55 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -155.61 178.61 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -126.18 112.33 15.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.19 44.07 97.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -120.49 -178.65 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -92.26 55.22 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.17 -138.24 14.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -71.65 -22.25 61.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.4 t -57.43 110.33 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.5 mt -91.7 141.43 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.174 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -103.24 137.21 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.438 HD21 ' CZ3' ' A' ' 28' ' ' TRP . 14.5 mt -120.4 163.12 18.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 14' ' ' ASP . 1.4 m -125.55 164.46 20.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' H ' HG22 ' A' ' 13' ' ' THR . 0.6 OUTLIER -40.74 -38.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -101.58 -20.16 15.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -95.63 16.01 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.574 ' HE2' HG21 ' A' ' 30' ' ' VAL . 1.9 t80 -96.39 -34.5 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -91.2 -53.31 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -55.23 -15.27 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.483 ' ND2' ' HD2' ' A' ' 19' ' ' LYS . 45.4 m-80 -103.45 -24.3 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.514 HG22 ' CG ' ' A' ' 28' ' ' TRP . 80.7 t -104.48 -63.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.53 -48.07 83.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -76.98 7.69 4.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -122.79 129.19 51.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.46 34.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -125.31 158.26 34.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -81.0 123.28 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.514 ' CG ' HG22 ' A' ' 21' ' ' VAL . 72.3 m95 -114.19 116.12 28.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.3 mtp -94.01 99.07 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.574 HG21 ' HE2' ' A' ' 17' ' ' PHE . 90.2 t -82.57 125.78 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.705 ' OE2' HD21 ' A' ' 43' ' ' LEU . 7.8 tt0 -123.32 92.48 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.443 ' CG ' HG21 ' A' ' 81' ' ' ILE . 55.0 m-85 -63.53 128.65 36.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.3 p90 -140.11 164.35 30.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.04 135.97 26.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -12.88 33.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -114.91 13.2 17.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 23.9 t -111.09 108.52 18.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.69 -48.58 7.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -41.25 -50.69 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.4 t -56.56 -55.55 32.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -43.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -75.28 -28.57 59.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.705 HD21 ' OE2' ' A' ' 31' ' ' GLU . 50.3 tp -80.45 -22.17 41.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.513 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.3 tt0 -45.92 -59.5 4.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.684 0.754 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.9 Cg_endo -69.78 -30.99 21.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.82 -28.4 66.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.511 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 53.1 t-105 -89.39 -40.96 12.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.53 80.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.63 75.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -53.19 -45.03 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -45.16 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 m -70.57 -34.4 72.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.568 ' HG3' HG11 ' A' ' 109' ' ' VAL . 6.5 tp10 -76.17 -24.54 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 50' ' ' ALA . 87.7 t -85.1 -38.75 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -73.04 -30.83 64.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -75.92 -29.53 58.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.577 ' HB3' HD21 ' A' ' 113' ' ' LEU . 34.2 mt-30 -89.47 -41.9 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.499 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 39.8 p -84.23 21.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 47.71 29.41 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.11 28.81 55.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.474 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.931 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 25.7 tptt -92.27 -44.56 8.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.6 t -96.64 113.61 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -97.81 148.95 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.483 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.0 mp -117.32 119.35 34.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.28 164.85 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.97 149.53 52.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.3 t -140.87 149.89 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.661 ' HB3' HG12 ' A' ' 71' ' ' VAL . 22.0 t0 -102.16 111.01 23.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . . . -61.02 -8.91 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -82.87 -29.3 29.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.661 HG12 ' HB3' ' A' ' 68' ' ' ASP . 7.5 p -107.5 -27.92 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.572 HD22 HG13 ' A' ' 71' ' ' VAL . 5.8 m-80 -95.38 112.79 24.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -111.09 -40.36 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -53.67 -37.7 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.08 -47.92 9.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.478 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -50.09 -43.28 51.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -75.33 -42.52 54.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -43.58 -51.3 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -105.14 -22.7 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 88.98 81.91 1.3 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.454 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.558 HD12 HG21 ' A' ' 86' ' ' THR . 28.3 mm -109.16 99.87 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -123.57 -19.73 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.17 98.13 1.07 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -96.56 153.88 38.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.726 . . . . 0.0 110.89 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.73 161.27 86.43 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.326 -0.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.558 HG21 HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -137.84 112.69 8.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -106.14 124.98 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -136.0 139.16 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.635 ' HB ' HG12 ' A' ' 97' ' ' VAL . 5.1 mp -103.33 137.9 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 96' ' ' PRO . 97.9 m-85 -125.81 107.67 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -93.96 128.97 40.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -61.0 115.81 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.415 ' N ' ' HD2' ' A' ' 92' ' ' LYS . . . 101.71 -38.9 2.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -96.42 176.45 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m -85.69 155.27 59.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.468 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.73 175.12 8.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.635 HG12 ' HB ' ' A' ' 89' ' ' ILE . 8.1 p -144.73 167.49 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.581 ' N ' HG22 ' A' ' 97' ' ' VAL . 6.4 p-10 -110.1 106.1 15.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -65.67 129.96 41.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -140.17 128.72 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 162.45 -129.62 2.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.47 155.64 21.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.664 ' HG2' HD13 ' A' ' 43' ' ' LEU . 2.3 ttp-105 -101.9 50.1 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.842 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ARG . 65.4 p -137.89 137.22 37.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 109' ' ' VAL . 14.6 ptt85 -36.41 -37.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 m -49.82 -58.71 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -67.84 -54.56 18.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.8 mt -43.74 -40.6 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 105' ' ' ARG . 82.9 t -73.27 -47.92 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.3 t -45.45 -47.15 13.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 114' ' ' ASP . 5.5 tpp85 -63.17 -59.55 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 54' ' ' VAL . . . -36.89 -37.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 57' ' ' GLN . 78.4 mt -70.56 -42.58 70.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 111' ' ' ARG . 7.4 m-20 -51.82 -38.67 56.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.9 mt -83.62 -38.79 21.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.693 ' CD1' ' CB ' ' A' ' 120' ' ' ALA . 31.3 t80 -53.99 -30.98 49.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.3 p -86.34 15.68 5.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.97 -30.94 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -115.23 -54.6 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.931 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -49.09 157.58 0.8 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.543 0.687 . . . . 0.0 111.144 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.494 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.75 169.93 17.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 160.69 48.76 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.321 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -173.25 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.315 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -39.25 143.55 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.8 pt? -148.25 171.03 16.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 125' ' ' LEU . 34.8 mt -37.57 107.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.07 159.64 44.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 54.2 p -101.7 125.8 48.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -69.57 120.9 10.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -172.87 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 78.7 p -98.87 155.52 17.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 59.1 p -105.26 41.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.806 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t 61.64 42.67 10.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -89.35 87.02 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.93 156.36 6.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -99.01 42.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 p -105.31 -53.31 2.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.72 -114.07 2.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 10.4 t70 -83.42 -26.32 30.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.5 t -59.16 119.68 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.8 mt -101.88 133.2 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -91.94 129.92 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.852 HD22 ' CG ' ' A' ' 20' ' ' ASN . 29.8 mt -112.21 177.32 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.625 HG22 ' H ' ' A' ' 14' ' ' ASP . 1.1 m -133.4 173.15 11.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 13' ' ' THR . 0.7 OUTLIER -57.14 -64.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -85.95 24.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 24.9 m -126.75 -29.99 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.726 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -50.45 -23.64 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.593 ' HB3' HD12 ' A' ' 22' ' ' LEU . 57.3 m-20 -95.99 -19.21 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 6.9 ptmt -91.11 -11.72 37.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.852 ' CG ' HD22 ' A' ' 12' ' ' LEU . 2.9 p30 -106.29 -33.4 7.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.52 -66.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD12 ' HB3' ' A' ' 18' ' ' ASP . 20.2 mt -53.82 -46.93 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -54.18 -14.88 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 t -121.83 137.69 54.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.03 28.5 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.5 158.11 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.407 ' HB ' HG13 ' A' ' 62' ' ' VAL . 59.2 t -71.2 123.45 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -113.96 110.96 20.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.7 mtp -84.1 99.67 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.726 HG21 ' CE2' ' A' ' 17' ' ' PHE . 66.2 t -89.68 124.2 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' OE2' ' C ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -123.66 126.2 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -97.59 121.8 39.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 7.2 p90 -127.65 169.84 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.1 131.59 24.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -10.33 28.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -118.76 19.12 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 13.9 t -116.36 142.62 46.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -69.96 -57.66 6.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' GLY . 87.1 m-70 -34.42 -48.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.7 t -59.71 -56.11 25.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -40.93 -33.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -86.02 -30.64 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' CYS . 32.5 tp -80.15 -14.18 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.2 tt0 -53.41 -60.06 7.89 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.645 0.736 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.0 Cg_endo -69.76 -28.99 24.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.49 -38.61 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -77.17 -42.44 37.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.53 80.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.19 -54.73 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -45.18 -47.74 12.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' A' ' 8' ' ' ASP . . . -47.47 -43.38 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -69.83 -45.59 67.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.514 ' HG3' HG11 ' A' ' 109' ' ' VAL . 5.5 tp10 -66.14 -24.62 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.7 HG23 HG22 ' A' ' 109' ' ' VAL . 94.3 t -84.61 -39.99 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -65.25 -36.27 83.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.536 ' NE2' HD21 ' A' ' 113' ' ' LEU . 27.9 mt-30 -79.84 -35.94 37.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.563 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 30.4 p -96.98 1.41 50.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 61.95 29.75 17.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.45 -7.31 82.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -56.43 -57.36 12.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.407 HG13 ' HB ' ' A' ' 27' ' ' VAL . 18.4 t -93.17 102.09 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -89.39 158.64 17.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mp -121.82 124.39 44.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.86 156.64 39.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.87 157.67 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.3 t -142.96 142.1 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.56 98.88 11.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.81 -14.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 p -76.09 -25.72 55.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.6 t -111.87 -36.97 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -82.29 108.4 15.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -107.56 -36.9 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.04 -41.32 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.43 -52.94 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.11 -43.37 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -73.18 -39.22 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -50.26 -49.38 53.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -100.96 -20.42 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 82.22 72.06 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.64 HD12 HG21 ' A' ' 86' ' ' THR . 3.5 mm -104.25 114.37 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -131.03 -31.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.25 94.83 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.54 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -93.82 154.65 40.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.89 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.73 160.86 87.24 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.383 -0.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.64 HG21 HD12 ' A' ' 81' ' ' ILE . 41.5 m -139.88 108.46 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 18.2 mt -98.69 124.22 51.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -131.81 131.37 42.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.626 HG21 HD13 ' A' ' 115' ' ' LEU . 4.4 mp -97.97 134.65 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 69.3 m-85 -118.16 129.42 55.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -119.01 139.04 52.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -63.88 111.37 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.98 -50.85 0.88 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -84.52 162.41 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 88.7 p -76.95 152.76 82.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.448 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.76 137.61 35.86 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.485 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 14.8 m -100.02 158.41 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.07 114.92 27.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 20.1 t80 -78.63 114.25 17.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -126.76 87.99 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -152.99 -161.88 10.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.462 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.03 157.42 35.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.46 ' CG ' HD13 ' A' ' 43' ' ' LEU . 15.9 ttp-105 -102.27 46.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.841 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 48.3 p -130.95 138.04 49.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 109' ' ' VAL . 21.4 ptt180 -40.16 -39.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 t -50.14 -61.19 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.92 -55.51 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.5 mt -42.95 -43.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.7 HG22 HG23 ' A' ' 54' ' ' VAL . 72.2 t -70.94 -49.3 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.2 t -43.25 -47.21 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -60.86 -60.79 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -38.44 -34.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.536 HD21 ' NE2' ' A' ' 57' ' ' GLN . 71.4 mt -69.36 -53.55 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -46.2 -36.97 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.626 HD13 HG21 ' A' ' 89' ' ' ILE . 13.7 mt -86.33 -42.84 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.643 ' CD1' ' HB3' ' A' ' 120' ' ' ALA . 12.7 t80 -43.94 -32.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -73.31 -47.02 46.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -47.95 -44.62 30.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -93.36 -69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.694 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -74.42 152.58 87.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 147.72 63.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.302 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 167.67 23.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 2.267 . . . . 0.0 112.367 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.93 23.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -132.84 117.51 17.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 tp -172.93 162.13 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.19 141.88 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -48.13 99.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 70.4 m -103.91 105.95 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -98.18 143.62 16.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.28 39.77 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.744 2.296 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.9 p -49.62 -42.68 45.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -152.35 137.65 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -40.56 104.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 m -96.56 -62.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.85 125.08 1.86 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 p -121.22 11.76 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -174.24 109.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.17 -119.1 9.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -119.31 10.25 11.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.96 120.49 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -92.73 139.64 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -97.48 129.27 44.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 mt -123.78 162.46 23.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.3 p -119.03 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -63.3 -20.51 65.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -107.29 -49.86 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -60.39 -25.64 66.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.799 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.809 ' HE2' HG21 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -58.78 -15.78 13.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -90.54 -49.95 6.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.2 OUTLIER -73.67 -6.55 47.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.497 ' O ' ' NE1' ' A' ' 28' ' ' TRP . 8.2 m-80 -103.69 -31.37 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 28' ' ' TRP . 76.6 t -104.96 -62.71 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.39 -61.44 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.43 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 11.1 t70 -56.32 -14.07 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 t -98.95 133.91 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -90.53 27.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -123.83 158.07 32.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.06 125.56 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.561 ' CB ' HG22 ' A' ' 21' ' ' VAL . 47.5 m95 -117.26 117.65 30.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.64 113.7 25.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.809 HG21 ' HE2' ' A' ' 17' ' ' PHE . 60.2 t -102.16 111.64 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 8.7 tm-20 -108.25 93.1 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.468 ' CG ' HG21 ' A' ' 81' ' ' ILE . 64.3 m-85 -62.7 117.07 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 2.8 p90 -124.63 164.63 19.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.24 135.09 25.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -10.3 28.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.393 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -120.02 17.08 12.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 13.0 t -114.2 114.01 25.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.843 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -46.92 -55.01 8.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 38' ' ' GLY . 28.4 m170 -34.64 -53.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -54.63 -56.73 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -43.01 -42.85 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -74.99 -25.44 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.783 HD13 ' HG2' ' A' ' 103' ' ' ARG . 28.9 tp -86.34 -17.35 34.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.8 tt0 -42.3 -58.34 3.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.74 -41.08 4.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.39 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.697 ' HB2' HD12 ' A' ' 43' ' ' LEU . 24.3 mm-40 -58.57 -31.69 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.453 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 57.8 t-105 -88.03 -37.71 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.24 92.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HB1' ' HD2' ' A' ' 105' ' ' ARG . . . -68.51 -47.31 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -52.86 -41.63 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.7 84.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -75.76 -29.79 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -81.25 -23.19 38.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 50' ' ' ALA . 69.6 t -86.11 -41.01 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -73.2 -19.6 61.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -87.24 -28.86 22.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.621 ' HB3' HD21 ' A' ' 113' ' ' LEU . 32.9 mt-30 -91.69 -45.52 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.453 HG21 ' HB ' ' A' ' 62' ' ' VAL . 26.4 p -77.5 8.09 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 61.04 25.6 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.35 -8.61 79.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -69.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.453 ' HB ' HG21 ' A' ' 58' ' ' THR . 19.5 t -78.33 105.85 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -94.98 146.97 23.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -112.88 126.65 55.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.68 171.93 11.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.51 142.23 45.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.3 t -129.87 152.13 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.712 ' HB2' HG12 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -98.97 109.85 22.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . . . -68.34 -2.64 8.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.9 p -89.33 -25.77 21.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.712 HG12 ' HB2' ' A' ' 68' ' ' ASP . 14.6 p -112.77 -25.74 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.64 HD22 HG13 ' A' ' 71' ' ' VAL . 3.7 m-80 -94.21 111.73 23.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -111.05 -37.36 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.4 t -50.74 -42.95 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.02 -49.99 8.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -46.77 -43.38 18.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 t -76.28 -45.0 34.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -42.59 -49.02 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -106.02 -21.79 13.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 85.7 82.84 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.468 HG21 ' CG ' ' A' ' 32' ' ' PHE . 7.3 mm -113.21 103.63 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.12 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -125.67 -14.68 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.06 96.03 0.83 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.656 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -98.82 154.89 37.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.8 154.03 93.27 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.33 0.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.0 m -134.83 117.34 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.419 ' C ' ' HG2' ' A' ' 88' ' ' LYS . 17.2 mt -109.25 131.08 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.419 ' HG2' ' C ' ' A' ' 87' ' ' ILE . 23.6 mmtt -141.81 136.35 30.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -93.54 144.03 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -132.06 120.74 22.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 94' ' ' GLU . 38.4 mt-30 -108.75 154.73 21.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -67.74 99.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.96 -40.78 2.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 91' ' ' GLN . 16.0 mt-10 -67.73 170.36 8.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.41 144.58 43.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.9 47.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.601 HG12 ' N ' ' A' ' 98' ' ' ASP . 23.7 t -110.94 166.88 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.601 ' N ' HG12 ' A' ' 97' ' ' VAL . 6.2 m-20 -119.72 82.07 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -71.18 110.22 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -133.91 38.97 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -114.87 -145.4 8.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -41.55 129.89 3.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.462 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.783 ' HG2' HD13 ' A' ' 43' ' ' LEU . 25.8 ttm180 -104.32 45.19 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.434 ' C ' HD12 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -129.92 155.66 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.688 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.5 ptt-85 -52.06 -32.39 34.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -62.32 -62.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.56 -56.55 18.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.434 HD12 ' C ' ' A' ' 104' ' ' THR . 29.1 mt -44.01 -42.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 105' ' ' ARG . 41.3 t -70.25 -51.02 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.8 t -44.59 -46.06 9.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ASP . 13.4 tpp180 -61.96 -62.04 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -35.47 -37.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 57' ' ' GLN . 62.9 mt -69.69 -47.94 61.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' ARG . 14.8 t70 -47.54 -36.31 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt -85.47 -46.37 10.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.69 ' CD1' ' HB2' ' A' ' 120' ' ' ALA . 20.9 t80 -49.43 -56.47 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 116' ' ' PHE . 22.2 t -34.52 -38.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.22 -61.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -43.18 -69.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.81 ' HB1' ' HD2' ' A' ' 121' ' ' PRO . . . -46.84 167.87 0.14 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 0.0 111.123 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.81 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 54.1 Cg_endo -69.77 148.37 64.82 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 168.32 21.89 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.268 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.407 ' HB2' ' CD1' ' A' ' 125' ' ' LEU . 53.7 Cg_endo -69.71 -165.33 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.378 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -105.58 35.29 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -164.81 163.27 21.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.634 ' N ' HD22 ' A' ' 125' ' ' LEU . 30.5 mt -85.19 126.38 33.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -130.22 -56.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 129' ' ' GLY . 4.6 t -135.66 145.28 46.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 128' ' ' SER . . . -35.61 103.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.547 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.423 ' HD2' ' HA2' ' A' ' 129' ' ' GLY . 53.4 Cg_endo -69.77 177.65 5.37 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.6 t -136.8 153.74 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 62.5 m -127.6 177.18 6.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -103.27 174.67 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -94.2 -49.56 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.33 -59.39 0.27 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -108.39 42.49 1.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -81.98 -50.85 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.17 -166.17 27.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.523 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 9.6 t70 -98.8 34.3 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 47.5 t -88.07 100.82 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.4 mt -78.2 137.38 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -99.39 127.51 45.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 16' ' ' SER . 27.0 mt -120.31 166.16 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 39.9 p -132.7 172.55 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -45.92 -38.84 8.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.67 -39.08 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.471 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.2 t -84.0 17.44 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -100.88 -34.48 9.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.41 -54.64 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -12.98 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -104.04 -29.19 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.622 HG22 ' CB ' ' A' ' 28' ' ' TRP . 55.9 t -101.24 -65.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.068 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.9 mt -53.53 -45.84 69.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.2 7.81 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.404 ' CB ' ' HE1' ' A' ' 28' ' ' TRP . 47.8 t -120.97 110.99 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.05 -16.85 34.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.06 155.75 27.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.655 HG23 ' NZ ' ' A' ' 61' ' ' LYS . 79.3 t -71.15 142.64 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.622 ' CB ' HG22 ' A' ' 21' ' ' VAL . 56.8 m95 -131.13 112.14 12.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 18.8 mtp -91.57 100.89 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.571 HG21 ' CE2' ' A' ' 17' ' ' PHE . 78.5 t -89.29 125.96 42.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.802 ' CD ' HD21 ' A' ' 43' ' ' LEU . 26.0 tt0 -121.13 109.1 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -79.11 132.49 36.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 1.8 p90 -144.72 162.41 36.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.2 138.92 30.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 111.092 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HD2' HG21 ' A' ' 70' ' ' THR . 53.9 Cg_endo -69.76 -10.39 28.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.28 . . . . 0.0 112.341 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.4 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.0 p-90 -114.78 21.59 14.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 3.5 t -123.05 120.46 33.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.3 -47.58 86.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -46.52 -20.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' LEU . 89.4 m -93.43 -51.04 5.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -44.22 -38.84 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -72.98 -29.8 63.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.802 HD21 ' CD ' ' A' ' 31' ' ' GLU . 14.8 tp -83.29 -19.55 36.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.574 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.3 tp10 -44.21 -55.82 9.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.3 Cg_endo -69.72 -45.1 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -53.07 -44.69 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.51 ' CE3' ' OE1' ' A' ' 31' ' ' GLU . 65.7 t-105 -65.63 -43.33 89.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -56.01 -46.43 78.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 105' ' ' ARG . . . -65.04 -46.59 80.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -54.72 -42.13 71.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.523 ' HB1' ' HB3' ' A' ' 8' ' ' ASP . . . -53.72 -50.52 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -66.18 -41.15 90.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.528 ' HG3' HG11 ' A' ' 109' ' ' VAL . 4.5 tp10 -69.18 -23.23 63.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 50' ' ' ALA . 54.1 t -84.57 -44.46 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 37.8 pttt -69.1 -24.71 64.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.76 -33.76 30.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.66 ' HB3' HD21 ' A' ' 113' ' ' LEU . 31.7 mt-30 -88.6 -28.48 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 54' ' ' VAL . 28.7 p -100.13 19.49 16.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 51.61 25.94 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 80.0 22.48 63.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.519 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.939 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 25.1 tptp -79.6 -56.99 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.4 t -87.43 111.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -94.45 146.72 23.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.505 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.7 mp -113.97 124.72 52.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.36 162.46 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.143 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.78 146.48 50.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.2 t -137.47 144.82 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' OD1' ' HD3' ' A' ' 35' ' ' PRO . 11.2 t0 -102.91 103.26 13.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.95 -18.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.415 HG21 ' HD2' ' A' ' 35' ' ' PRO . 41.0 p -71.8 -31.99 67.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.85 -31.51 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.488 ' OD1' HD12 ' A' ' 75' ' ' LEU . 2.8 m-80 -87.15 109.86 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -107.53 -38.18 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.39 -41.47 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.488 HD12 ' OD1' ' A' ' 72' ' ' ASN . 14.4 mt -81.51 -57.46 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -43.08 -39.51 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -79.47 -41.97 26.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.532 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -56.57 -51.3 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.532 ' CZ ' ' HD2' ' A' ' 78' ' ' ARG . 30.0 m-85 -93.11 -21.14 19.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 83.5 45.43 6.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.614 HG22 ' CE1' ' A' ' 84' ' ' PHE . 14.9 mm -74.83 110.51 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -131.17 -33.0 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.99 100.49 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.614 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -100.61 154.12 37.36 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.699 0.762 . . . . 0.0 110.86 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.75 162.36 84.26 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.39 0.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.403 HG21 HD12 ' A' ' 81' ' ' ILE . 15.2 m -138.63 110.34 7.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.196 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.4 mt -100.25 121.23 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -130.74 145.04 51.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.481 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.5 mp -114.16 141.25 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 69.6 m-85 -130.78 121.63 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.555 ' HG2' HG22 ' A' ' 27' ' ' VAL . 82.0 mt-30 -123.51 149.57 45.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -75.63 121.99 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.48 -43.07 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.43 167.83 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -81.53 159.16 67.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.674 0.749 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.564 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.4 Cg_endo -69.76 136.55 33.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.613 2.209 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.481 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 6.7 m -101.1 173.67 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -117.37 109.02 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.472 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 14.1 t80 -80.12 109.13 14.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -131.4 87.09 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.7 -153.69 6.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.77 138.91 5.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 18.0 ttp-105 -103.13 49.33 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 105' ' ' ARG . 51.6 p -140.91 136.21 32.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.61 ' O ' HG23 ' A' ' 109' ' ' VAL . 18.8 ptt180 -36.14 -37.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 m -50.56 -58.39 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -69.77 -53.61 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.2 mt -42.44 -40.5 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 105' ' ' ARG . 72.0 t -73.08 -48.5 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.9 t -46.41 -46.76 18.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.635 ' CZ ' HD21 ' A' ' 115' ' ' LEU . 20.6 tpt180 -63.3 -50.71 68.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -43.92 -40.08 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 57' ' ' GLN . 78.5 mt -66.97 -43.2 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.01 -37.2 52.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.635 HD21 ' CZ ' ' A' ' 111' ' ' ARG . 4.5 mt -85.63 -37.1 19.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.528 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 12.1 t80 -52.87 -57.4 10.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.5 m -56.89 -12.84 2.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -80.61 -62.07 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 120' ' ' ALA . 1.8 m-80 -85.5 -70.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.939 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -35.79 137.61 0.45 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 111.09 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 166.07 28.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 165.25 31.68 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 98.68 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.264 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -174.5 120.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.5 tp -166.38 156.19 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.0 tt -88.09 115.01 25.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.29 123.03 16.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.2 m -124.24 151.29 44.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -114.46 137.13 13.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 161.76 44.67 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.724 2.282 . . . . 0.0 112.368 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.1 m -96.7 143.09 27.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 22.4 t -125.05 158.58 33.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -108.82 -60.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -104.32 133.99 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.87 135.84 8.48 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -171.69 120.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -39.86 -44.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.16 -137.67 9.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -45.81 -38.76 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -64.97 141.7 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.5 mt -104.72 131.84 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -88.52 116.14 26.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 mt -113.26 157.85 21.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.1 p -113.01 -175.11 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.43 2.24 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -118.58 -52.1 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 p -70.73 -22.08 62.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.649 ' CD2' HD13 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -44.77 -37.57 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.46 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -84.14 -41.92 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -69.24 -11.36 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -106.03 -27.94 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.444 HG22 ' CG ' ' A' ' 28' ' ' TRP . 99.0 t -102.4 -66.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 18' ' ' ASP . 33.3 mt -58.6 -39.96 81.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.74 4.9 14.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -128.02 125.84 40.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.4 38.79 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.07 157.95 36.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.77 123.89 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CG ' HG22 ' A' ' 21' ' ' VAL . 59.9 m95 -117.96 112.85 20.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.4 mtt -89.9 103.57 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -93.16 117.32 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.703 ' CD ' HD21 ' A' ' 43' ' ' LEU . 40.3 tt0 -118.1 106.74 13.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -77.51 122.79 25.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -127.4 163.36 24.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' HB2' ' HD2' ' A' ' 84' ' ' PHE . . . -123.21 129.73 24.82 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.598 0.713 . . . . 0.0 111.101 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -4.25 13.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -125.01 26.79 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 11.7 t -125.72 114.52 18.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -59.34 -67.68 2.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' GLY . 2.4 t-80 -37.47 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLY . 1.7 t -84.9 -42.19 15.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' GLY . 8.2 ptmt -52.01 -35.43 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -67.2 -21.92 65.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.703 HD21 ' CD ' ' A' ' 31' ' ' GLU . 3.4 tp -88.21 -30.9 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.539 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 tp10 -34.72 -58.1 0.71 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.636 0.731 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.77 -35.9 11.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' OE2' HG23 ' A' ' 104' ' ' THR . 2.4 mm-40 -62.24 -32.05 72.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.584 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 67.5 t-105 -81.5 -43.28 19.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.36 -58.18 6.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.62 -53.5 51.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.777 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -43.66 -55.18 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.2 -42.15 8.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -72.44 -39.81 67.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.756 ' HG2' HG11 ' A' ' 109' ' ' VAL . 7.8 tt0 -77.48 -14.58 59.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.809 HG23 HG22 ' A' ' 109' ' ' VAL . 47.6 t -92.27 -42.6 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' GLY . 15.3 pttm -69.85 -31.56 69.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.89 -36.05 72.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.594 ' HB3' HD21 ' A' ' 113' ' ' LEU . 33.6 mt-30 -83.81 -44.09 14.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.5 HG22 ' HB2' ' A' ' 116' ' ' PHE . 72.6 p -80.38 12.94 2.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm 54.13 26.2 6.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 92.48 -15.14 63.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.63 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 33.0 tptt -48.44 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.409 ' HB ' HG21 ' A' ' 58' ' ' THR . 39.7 t -80.83 112.2 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -103.41 145.05 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.453 HD23 ' CE2' ' A' ' 47' ' ' TRP . 7.9 mp -111.23 123.1 49.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.37 163.41 19.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.07 152.76 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.6 t -139.97 141.49 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.81 94.73 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.34 -17.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.9 p -68.09 -33.12 73.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.4 p -109.36 -34.5 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -80.66 108.84 14.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -111.51 -39.8 4.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.3 t -50.25 -38.89 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.649 HD13 ' CD2' ' A' ' 17' ' ' PHE . 15.1 mt -89.17 -54.0 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.16 -44.29 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -74.24 -43.34 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 15.3 ttt85 -41.75 -49.13 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 14.7 m-85 -101.5 -22.14 14.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.0 72.96 1.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.852 HD12 HG21 ' A' ' 86' ' ' THR . 17.8 mm -97.47 99.23 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.343 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -123.62 34.95 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.31 88.78 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.644 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -92.0 154.26 43.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.847 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.76 160.12 88.55 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.31 0.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.852 HG21 HD12 ' A' ' 81' ' ' ILE . 45.2 m -139.83 105.96 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.9 mt -98.33 116.72 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -127.24 129.68 48.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.48 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -96.0 139.27 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -125.33 125.48 43.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.44 ' NE2' HD22 ' A' ' 115' ' ' LEU . 76.2 mt-30 -116.11 141.65 47.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 118.11 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.26 -48.59 2.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -82.41 161.14 22.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.1 p -76.13 153.17 84.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.685 0.755 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.32 59.83 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.737 2.291 . . . . 0.0 112.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 18.9 m -117.8 144.43 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.22 110.9 22.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -61.74 143.63 55.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -132.36 -32.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.88 172.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -46.19 142.74 4.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -90.09 33.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.434 HG23 ' OE2' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -114.58 149.78 36.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.777 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.3 ptt-85 -45.81 -37.36 6.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.7 m -57.97 -54.04 51.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -72.3 -53.73 11.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.3 mt -41.93 -47.64 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.809 HG22 HG23 ' A' ' 54' ' ' VAL . 98.9 t -64.06 -49.18 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 t -42.53 -48.02 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 112' ' ' ALA . 7.4 tpp180 -62.38 -63.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . -36.49 -38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 57' ' ' GLN . 29.1 mt -64.82 -56.75 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 114' ' ' ASP . 37.5 t0 -47.02 -41.26 16.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.44 HD22 ' NE2' ' A' ' 91' ' ' GLN . 8.7 mt -76.37 -38.39 55.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 120' ' ' ALA . 30.3 t80 -50.76 -48.51 59.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.6 p -61.95 -31.74 72.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -62.26 -57.49 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -85.14 -65.58 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.63 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -67.63 156.75 88.15 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.578 0.704 . . . . 0.0 111.128 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 54.0 Cg_endo -69.75 119.23 6.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 121' ' ' PRO . 54.1 Cg_endo -69.77 168.73 20.72 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 178.61 4.38 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.737 2.291 . . . . 0.0 112.32 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -64.75 102.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 13.2 mt -121.22 128.81 52.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.26 82.99 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 39.96 48.51 2.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.1 t -46.51 -61.47 1.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 110.65 -98.25 1.05 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.43 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 131' ' ' SER . 53.1 Cg_endo -69.8 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.652 2.234 . . . . 0.0 112.374 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 130' ' ' PRO . 46.9 t -34.31 -58.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.3 p -114.42 123.79 50.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.506 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 6.3 m 36.18 43.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 110.883 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 m -137.4 163.16 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.85 -80.28 0.29 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m 59.79 44.31 14.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.377 . . . . 0.0 110.893 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -117.96 90.68 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.61 -156.77 30.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -91.81 17.65 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.08 132.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 17.2 mt -108.4 140.21 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -101.4 116.59 33.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 90.8 mt -113.96 153.9 28.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.44 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 3.7 p -115.02 -175.55 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -53.77 54.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -77.29 -47.25 20.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -56.49 -45.69 80.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.826 ' HE2' HG21 ' A' ' 30' ' ' VAL . 2.7 t80 -43.99 -24.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.672 ' HB3' HD12 ' A' ' 22' ' ' LEU . 18.5 m-20 -86.74 -48.21 8.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -73.67 -5.64 41.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.441 ' CB ' HD22 ' A' ' 12' ' ' LEU . 10.3 m-80 -106.25 -38.26 6.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.3 t -96.68 -65.16 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.672 HD12 ' HB3' ' A' ' 18' ' ' ASP . 54.8 mt -53.93 -39.95 66.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.75 7.33 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -132.83 127.81 35.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -84.11 16.68 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -103.05 158.08 16.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.51 ' HB ' HG13 ' A' ' 62' ' ' VAL . 47.2 t -70.96 122.89 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.514 ' CZ2' ' HD3' ' A' ' 63' ' ' LYS . 30.7 m95 -114.11 116.43 29.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.466 ' SD ' ' CG2' ' A' ' 87' ' ' ILE . 0.7 OUTLIER -91.22 111.0 22.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.826 HG21 ' HE2' ' A' ' 17' ' ' PHE . 41.3 t -102.34 113.58 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 11.2 tm-20 -107.96 96.43 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CB ' HG21 ' A' ' 81' ' ' ILE . 73.1 m-85 -66.04 114.4 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.3 p90 -122.15 166.45 14.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.22 137.02 27.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HD2' HG21 ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.74 -15.83 37.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -112.28 13.67 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.632 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 11.3 t -110.26 123.25 49.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -60.27 -52.69 51.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' GLY . 78.7 m-70 -35.97 -46.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.758 0.313 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -63.06 -57.6 10.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -41.08 -37.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 9.2 t30 -78.89 -31.41 45.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 40' ' ' CYS . 26.3 tp -79.1 -18.1 53.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.6 tp10 -39.37 -58.4 1.94 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.686 0.755 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.8 -45.37 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.237 . . . . 0.0 112.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HB2' HD12 ' A' ' 43' ' ' LEU . 2.0 mp0 -54.88 -27.88 46.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.434 ' CZ3' HG12 ' A' ' 87' ' ' ILE . 59.7 t-105 -91.69 -35.41 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.54 77.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.066 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.51 -47.32 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.782 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -48.39 -47.55 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.61 -55.0 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 m -63.03 -40.29 97.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.49 ' HG2' HG21 ' A' ' 109' ' ' VAL . 3.8 tp10 -67.1 -28.61 68.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 50' ' ' ALA . 78.1 t -80.25 -39.61 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -74.04 -27.93 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -77.5 -31.37 53.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.444 HE22 HD11 ' A' ' 113' ' ' LEU . 34.4 mt-30 -90.58 -40.34 12.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 54' ' ' VAL . 21.7 p -84.31 20.83 1.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt 50.33 26.45 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.76 28.16 47.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 48.1 tptt -88.85 -61.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.51 HG13 ' HB ' ' A' ' 27' ' ' VAL . 6.7 t -82.53 109.87 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HD3' ' CZ2' ' A' ' 28' ' ' TRP . 26.4 mttt -91.5 155.56 18.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -125.13 118.95 27.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . . . -126.71 172.05 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.77 161.83 30.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.409 HG13 ' CG ' ' A' ' 72' ' ' ASN . 92.6 t -147.83 122.64 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.492 ' OD2' ' CG2' ' A' ' 71' ' ' VAL . 46.6 p-10 -74.39 97.63 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.71 -14.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.461 HG21 ' HD2' ' A' ' 35' ' ' PRO . 75.1 p -75.59 -27.63 58.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.492 ' CG2' ' OD2' ' A' ' 68' ' ' ASP . 42.8 t -110.19 -37.64 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.409 ' CG ' HG13 ' A' ' 67' ' ' VAL . 3.9 m-80 -82.02 107.77 14.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -110.13 -35.04 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.34 -36.27 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mt -91.73 -50.31 5.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -47.25 -40.66 17.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 t -77.13 -38.21 52.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HD3' ' CE2' ' A' ' 79' ' ' TYR . 58.3 ttt180 -53.52 -49.65 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 78' ' ' ARG . 17.4 m-85 -99.2 -19.83 16.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 79.98 80.39 0.81 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.79 HG22 ' CE1' ' A' ' 84' ' ' PHE . 20.4 mm -111.16 106.02 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.0 -16.69 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.22 94.08 0.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.79 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -95.31 153.91 39.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.702 0.763 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.5 Cg_endo -69.8 160.95 87.29 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.33 0.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -141.65 106.15 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CG2' ' SD ' ' A' ' 29' ' ' MET . 17.0 mt -96.92 123.4 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -130.58 139.2 50.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.487 HG21 HE21 ' A' ' 91' ' ' GLN . 3.9 mp -98.6 144.59 11.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -128.47 106.16 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.487 HE21 HG21 ' A' ' 89' ' ' ILE . 67.7 mt-30 -110.24 109.29 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -46.39 122.07 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.25 -41.93 1.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -140.54 174.22 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -61.81 152.6 75.47 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.708 0.766 . . . . 0.0 110.825 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.37 31.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 11.9 m -118.78 166.74 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -101.99 116.03 31.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.477 ' CG ' ' N ' ' A' ' 100' ' ' ASP . 49.2 t80 -50.94 169.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.477 ' N ' ' CG ' ' A' ' 99' ' ' TYR . 3.0 t70 -73.79 -56.42 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 129.89 8.82 3.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.15 -34.97 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 50.27 31.02 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' ARG . 19.4 p -146.1 127.59 15.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.782 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 21.4 ptt180 -37.9 -36.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.9 m -59.37 -54.42 46.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.43 -52.18 12.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 38.0 mt -48.07 -36.29 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.668 HG22 HG23 ' A' ' 54' ' ' VAL . 37.3 t -79.07 -45.74 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.2 t -49.69 -44.46 48.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -64.95 -51.8 59.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.06 -38.06 16.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.444 HD11 HE22 ' A' ' 57' ' ' GLN . 16.2 mt -70.55 -44.56 67.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.67 -29.57 27.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.469 ' HB3' ' ND2' ' A' ' 119' ' ' ASN . 8.5 mt -94.6 -39.97 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.555 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 11.6 t80 -51.26 -50.52 59.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' PHE . 4.2 t -37.84 -38.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 119' ' ' ASN . 5.8 t0 -98.31 -61.41 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 115' ' ' LEU . 27.1 m-80 -35.2 -64.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.635 ' HB1' ' HD2' ' A' ' 121' ' ' PRO . . . -53.95 162.67 1.36 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.536 0.684 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.635 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.74 115.77 4.25 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 121' ' ' PRO . 53.6 Cg_endo -69.74 164.09 35.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.284 . . . . 0.0 112.315 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.72 175.91 7.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' PRO . 7.8 tt0 -34.67 99.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 126' ' ' LEU . 0.7 OUTLIER -126.88 147.35 50.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.953 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.737 ' N ' HD13 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -77.43 72.0 3.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -86.78 148.19 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 t -81.5 177.01 9.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -52.98 -178.47 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.21 39.15 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.0 p -103.26 144.82 30.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.7 t -80.8 101.1 9.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -150.94 161.4 42.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -81.35 169.25 17.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.11 106.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -151.72 160.9 43.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.89 0.376 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.792 ' O ' HG12 ' A' ' 9' ' ' VAL . 16.9 m -104.75 138.85 40.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' HA3' ' HB1' ' A' ' 48' ' ' ALA . . . 40.74 -110.33 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.65 30.77 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.792 HG12 ' O ' ' A' ' 6' ' ' SER . 6.6 p -88.85 133.97 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.41 139.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -98.47 124.5 43.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 16' ' ' SER . 30.1 mt -117.99 164.29 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 26.3 p -129.82 178.51 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -53.74 -29.99 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -103.75 -30.93 10.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.535 ' O ' HD22 ' A' ' 12' ' ' LEU . 26.3 m -92.35 16.91 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.833 ' CE2' HG21 ' A' ' 30' ' ' VAL . 1.2 t80 -97.8 -47.94 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.33 -52.66 7.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -57.32 -15.08 5.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -102.57 -22.33 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.73 HG22 ' CG ' ' A' ' 28' ' ' TRP . 24.4 t -102.85 -63.29 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.404 HD23 HG12 ' A' ' 21' ' ' VAL . 6.4 mt -55.92 -29.42 60.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.7 9.12 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.0 t -131.96 146.47 52.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -97.3 26.5 4.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -118.72 158.06 26.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.03 124.2 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.73 ' CG ' HG22 ' A' ' 21' ' ' VAL . 50.0 m95 -114.16 111.61 21.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.0 mtp -87.96 100.84 13.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.833 HG21 ' CE2' ' A' ' 17' ' ' PHE . 39.3 t -90.8 119.3 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -119.6 117.5 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -92.5 133.91 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -140.73 172.79 12.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -122.58 133.19 24.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.582 0.706 . . . . 0.0 111.072 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.516 ' HD2' HG21 ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.76 -3.42 11.98 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -124.13 1.49 8.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 41.9 t -94.1 111.53 23.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.82 -59.26 9.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -44.76 -33.76 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.9 m -75.71 -44.85 40.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -51.71 -35.83 44.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -70.26 -24.69 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 103' ' ' ARG . 12.5 tp -89.14 -27.14 20.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.536 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.2 tt0 -36.86 -58.29 1.1 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.8 Cg_endo -69.77 -29.94 23.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.327 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' HB2' HD12 ' A' ' 43' ' ' LEU . 31.3 mm-40 -67.96 -33.01 73.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -79.21 -40.84 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HB1' ' HA3' ' A' ' 7' ' ' GLY . . . -59.03 -49.28 78.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.09 89.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.633 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -53.1 -43.15 66.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.69 -47.93 66.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -67.49 -40.1 85.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.925 ' HG2' HG11 ' A' ' 109' ' ' VAL . 14.2 tt0 -72.62 -14.34 61.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.82 HG23 HG22 ' A' ' 109' ' ' VAL . 37.3 t -92.42 -41.53 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -72.86 -20.39 61.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -81.68 -28.57 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.724 ' HB3' HD21 ' A' ' 113' ' ' LEU . 34.0 mt-30 -96.27 -36.55 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.573 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 49.5 p -85.73 20.39 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt 51.3 27.05 3.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.49 22.95 66.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.734 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 12.7 tptm -85.62 -64.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.784 0.326 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.53 109.11 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -95.29 137.67 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -106.42 123.57 48.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.97 158.44 35.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.424 ' CB ' ' OE1' ' A' ' 31' ' ' GLU . . . -121.05 154.38 36.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.97 148.69 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -101.19 99.78 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.692 ' CB ' ' CE1' ' A' ' 84' ' ' PHE . . . -58.0 -14.57 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.516 HG21 ' HD2' ' A' ' 35' ' ' PRO . 77.7 p -71.42 -27.04 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -113.34 -35.3 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -76.48 106.44 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -106.5 -30.45 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.99 -38.23 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.58 -56.81 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.12 -43.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -78.89 -39.84 33.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -46.72 -51.83 15.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -100.92 -21.02 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.86 58.51 2.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.707 HD12 HG21 ' A' ' 86' ' ' THR . 21.4 mm -59.4 -73.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 38.91 26.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.64 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -159.46 88.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -102.15 155.52 36.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 -179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.4 Cg_endo -69.7 165.86 75.37 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.413 -0.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.707 HG21 HD12 ' A' ' 81' ' ' ILE . 86.9 m -142.21 142.37 32.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.5 mt -133.96 122.78 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -131.67 148.45 52.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.479 ' HB ' ' CG2' ' A' ' 97' ' ' VAL . 4.6 mp -114.29 138.06 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 38.1 m-85 -130.05 122.79 29.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 94' ' ' GLU . 27.3 mp0 -114.55 157.54 22.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.04 107.49 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.76 -46.22 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 91' ' ' GLN . 10.4 pt-20 -100.92 171.53 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.1 p -83.59 152.75 64.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.587 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.79 148.98 66.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.479 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 3.6 m -108.4 173.65 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 1.6 m-20 -113.52 103.51 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -66.51 112.0 3.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -126.03 92.37 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -174.81 -141.62 3.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.9 127.01 21.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.544 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -91.81 22.11 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 105' ' ' ARG . 81.7 p -100.19 136.6 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.633 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 19.5 ptt180 -36.68 -41.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -50.78 -59.06 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.96 -53.58 20.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.416 HD12 ' C ' ' A' ' 104' ' ' THR . 20.1 mt -42.15 -41.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.925 HG11 ' HG2' ' A' ' 53' ' ' GLU . 98.4 t -74.97 -48.16 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.7 t -49.23 -36.59 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -72.51 -53.09 13.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.31 -39.34 6.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.724 HD21 ' HB3' ' A' ' 57' ' ' GLN . 21.0 mt -61.01 -51.62 68.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.02 -44.79 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -78.98 -44.13 23.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.836 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 32.9 t80 -44.69 -40.36 5.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 91.9 p -70.72 -36.14 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.46 -53.99 50.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.39 -65.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.836 ' HB3' ' O ' ' A' ' 116' ' ' PHE . . . -56.49 152.26 25.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.552 0.691 . . . . 0.0 111.098 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.412 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 53.7 Cg_endo -69.77 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 121' ' ' PRO . 53.7 Cg_endo -69.74 161.26 46.63 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.82 77.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 126' ' ' LEU . 11.1 mt -136.16 154.45 50.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 125' ' ' LEU . 3.7 mt -34.72 138.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -40.73 119.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.7 m -80.29 147.52 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -97.35 103.43 2.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -173.01 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.2 p -150.45 146.43 26.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.1 m -119.59 101.46 7.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 47.43 48.12 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.908 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -84.29 45.03 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.27 149.91 23.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p -92.68 -51.15 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m -87.92 108.3 19.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.99 -161.06 11.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 24.7 t70 -92.57 19.62 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.71 121.53 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.637 ' O ' ' HB1' ' A' ' 65' ' ' ALA . 49.2 mt -94.84 135.41 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -88.38 138.6 31.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.9 mt -122.18 160.43 25.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.547 HG22 ' H ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -119.8 171.52 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.547 ' H ' HG22 ' A' ' 13' ' ' THR . 2.7 p30 -58.43 -17.2 18.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -117.47 -40.94 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.449 ' OG ' ' ND2' ' A' ' 20' ' ' ASN . 1.1 t -66.75 -22.59 66.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -52.83 -39.38 62.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.428 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.96 -38.61 19.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -67.47 -17.72 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.449 ' ND2' ' OG ' ' A' ' 16' ' ' SER . 5.1 m-80 -106.03 -25.86 11.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 17' ' ' PHE . 98.2 t -98.11 -65.44 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 18' ' ' ASP . 41.5 mt -60.57 -53.68 54.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -53.86 -15.21 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.9 t -112.1 133.07 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -85.62 27.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.12 158.03 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 62' ' ' VAL . 91.4 t -72.56 127.48 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 38.9 m95 -116.51 113.55 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.4 mtp -88.28 99.81 12.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.8 t -92.55 121.61 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.556 ' OE1' ' CD2' ' A' ' 47' ' ' TRP . 41.8 tt0 -121.86 100.16 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -73.03 129.72 38.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -135.94 176.36 8.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . . . -123.4 132.3 24.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.707 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -7.72 21.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.47 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.4 p-90 -121.68 21.54 10.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 8.4 t -119.48 127.51 53.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -60.92 -55.6 28.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' GLY . 6.5 t-80 -35.23 -39.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -75.86 -54.28 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -43.3 -43.54 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.491 ' C ' ' ND2' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -73.14 -25.67 60.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.475 HD13 ' HB2' ' A' ' 103' ' ' ARG . 4.6 tp -88.01 -19.08 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.532 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 tp10 -39.41 -57.93 2.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.0 Cg_endo -69.79 -40.51 5.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.485 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -58.08 -31.21 66.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.556 ' CD2' ' OE1' ' A' ' 31' ' ' GLU . 71.8 t-105 -82.67 -37.02 25.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.4 -56.52 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.97 64.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.875 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -52.14 -43.3 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.27 -46.95 72.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -71.16 -40.49 71.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HG3' HG11 ' A' ' 109' ' ' VAL . 10.9 tp10 -68.46 -26.7 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.874 HG23 HG22 ' A' ' 109' ' ' VAL . 55.8 t -83.45 -38.56 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -74.74 -21.57 59.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -86.23 -25.53 25.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.616 ' HB3' HD21 ' A' ' 113' ' ' LEU . 32.2 mt-30 -94.65 -43.21 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.557 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 31.0 p -83.61 22.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 50.66 29.75 4.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.63 23.42 72.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.918 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 11.4 tppt? -81.82 -61.11 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.47 HG13 ' CG1' ' A' ' 27' ' ' VAL . 21.3 t -83.38 105.69 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -88.05 155.54 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mp -122.55 121.91 37.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.637 ' HB1' ' O ' ' A' ' 10' ' ' ILE . . . -128.88 166.91 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.31 166.44 18.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.0 t -150.92 138.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.64 101.99 14.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.78 -10.12 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.47 HG21 ' NE1' ' A' ' 36' ' ' TRP . 61.9 p -85.12 -13.82 49.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.35 -29.78 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.32 105.64 17.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -106.95 -32.5 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.36 -39.22 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 17' ' ' PHE . 41.4 mt -86.07 -58.14 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -43.66 -38.47 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.1 t -74.28 -29.96 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' LEU . 50.5 ttt-85 -64.88 -46.88 79.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -96.48 -22.6 17.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' ALA . . . 85.55 50.16 4.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.059 HD12 HG21 ' A' ' 86' ' ' THR . 28.7 mm -80.92 112.08 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -128.98 -29.32 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.39 107.22 2.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.551 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -100.94 154.74 36.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.3 Cg_endo -69.82 165.94 75.51 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.347 0.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 1.059 HG21 HD12 ' A' ' 81' ' ' ILE . 93.4 m -142.01 105.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.194 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.45 HD11 ' OE2' ' A' ' 31' ' ' GLU . 22.1 mt -97.86 123.5 50.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -130.08 138.65 50.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.673 ' HB ' HG23 ' A' ' 97' ' ' VAL . 4.2 mp -106.06 140.8 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 87.1 m-85 -128.48 112.24 14.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.671 ' NE2' HD22 ' A' ' 115' ' ' LEU . 63.6 mt-30 -112.98 73.01 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 91' ' ' GLN . 4.3 ttmt -34.3 112.67 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.57 -33.92 1.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -128.26 -76.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 t -175.63 142.82 0.67 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.705 0.764 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.583 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.79 162.03 43.66 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.624 2.216 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.673 HG23 ' HB ' ' A' ' 89' ' ' ILE . 2.3 m -137.83 178.31 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -125.5 119.6 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.454 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 54.6 t80 -73.49 118.77 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 100' ' ' ASP . 1.5 t70 -118.38 81.08 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -162.24 -146.75 4.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.45 145.25 27.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.506 ' C ' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -97.04 24.0 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.39 . . . . 0.0 110.912 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 106' ' ' SER . 35.3 p -94.59 130.15 41.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.203 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.875 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.4 ptt85 -34.04 -35.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 104' ' ' THR . 62.9 m -57.22 -58.79 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.28 -53.95 17.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.506 HD11 ' C ' ' A' ' 103' ' ' ARG . 35.7 mt -45.38 -46.29 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.874 HG22 HG23 ' A' ' 54' ' ' VAL . 56.0 t -71.66 -47.48 57.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.0 t -50.03 -37.88 35.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -73.52 -56.12 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.91 -37.72 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 57' ' ' GLN . 20.0 mt -58.85 -41.08 86.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -56.43 -40.61 75.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.671 HD22 ' NE2' ' A' ' 91' ' ' GLN . 11.8 mt -73.32 -43.44 60.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.797 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 51.5 t80 -51.93 -39.2 58.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 m -89.56 24.93 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -130.8 -32.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.36 -39.57 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.918 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -65.26 160.97 53.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 111.147 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 54.0 Cg_endo -69.74 146.3 59.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.256 . . . . 0.0 112.359 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 125.21 11.89 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 122.45 9.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -49.88 167.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.92 133.43 49.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 126' ' ' LEU . 10.4 tp -155.88 131.01 9.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -116.73 -51.42 2.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.3 t -157.13 127.64 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.442 ' N ' ' HD2' ' A' ' 130' ' ' PRO . . . -74.61 -61.48 3.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 131' ' ' SER . 53.6 Cg_endo -69.8 2.65 3.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 130' ' ' PRO . 86.3 p -35.11 -41.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.9 p -123.43 -69.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -68.98 114.64 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.379 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.9 p -101.0 80.25 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.74 128.61 2.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -70.57 -58.49 3.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -61.22 -49.77 75.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.7 -140.81 5.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -92.37 16.8 10.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.32 134.75 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.3 mt -102.97 141.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -98.93 121.49 40.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 mt -118.3 170.79 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' ' 17' ' ' PHE . 32.9 p -128.87 -177.05 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -25.02 67.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 7.0 t70 -105.18 -49.1 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 19.8 m -62.7 -23.82 67.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.862 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -56.6 -29.97 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.693 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -93.17 -42.99 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -12.63 38.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 16' ' ' SER . 62.3 m-80 -103.07 -42.48 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.866 HG22 ' CB ' ' A' ' 28' ' ' TRP . 73.9 t -85.69 -64.66 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.693 HD12 ' HB2' ' A' ' 18' ' ' ASP . 51.5 mt -53.99 -44.2 70.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -74.95 4.8 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.3 t -128.87 114.88 17.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.82 -14.71 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -76.18 153.8 35.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.6 135.61 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.866 ' CB ' HG22 ' A' ' 21' ' ' VAL . 37.6 m95 -122.82 114.66 20.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.3 mtp -90.16 106.41 18.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.862 HG21 ' CE2' ' A' ' 17' ' ' PHE . 92.7 t -90.71 131.85 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.21 104.09 7.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CG ' HG21 ' A' ' 81' ' ' ILE . 26.8 m-85 -78.99 126.9 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -139.3 167.7 21.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.489 ' HB1' ' CE2' ' A' ' 36' ' ' TRP . . . -122.47 135.75 25.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -3.06 11.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.489 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 2.1 p-90 -120.09 -3.62 10.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 t -89.82 111.36 22.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.19 -54.49 31.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -45.69 -39.85 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 35.5 m -72.8 -40.81 65.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -52.29 -36.82 53.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -73.53 -24.95 60.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 46' ' ' GLU . 7.1 tp -83.89 -25.43 30.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.7 tt0 -36.54 -58.52 1.0 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.842 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.4 Cg_endo -69.75 -34.1 15.29 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.308 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' HD12 ' A' ' 43' ' ' LEU . 89.6 mt-10 -64.81 -30.9 71.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.5 ' CE3' HD13 ' A' ' 108' ' ' ILE . 65.3 t-105 -84.25 -33.15 24.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.08 -57.43 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.83 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.816 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -42.84 -47.95 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.51 -42.54 74.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -72.43 -38.3 68.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.926 ' HG2' HG11 ' A' ' 109' ' ' VAL . 10.4 tt0 -75.1 -12.26 60.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.024 HG23 HG22 ' A' ' 109' ' ' VAL . 19.8 t -93.56 -43.85 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -71.17 -26.31 62.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CD ' ' HA ' ' A' ' 53' ' ' GLU . 19.5 pt-20 -77.4 -25.49 50.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -96.52 -37.05 10.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.483 HG21 ' HB ' ' A' ' 62' ' ' VAL . 55.4 p -86.49 1.49 51.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 62.39 37.72 13.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.8 -13.44 36.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.59 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -50.86 -68.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.483 ' HB ' HG21 ' A' ' 58' ' ' THR . 53.8 t -84.35 121.86 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' C ' HD12 ' A' ' 64' ' ' LEU . 23.2 mtpp -109.19 159.82 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 63' ' ' LYS . 9.6 mp -126.48 127.31 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.15 165.83 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.9 151.52 50.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 68' ' ' ASP . 59.1 t -134.7 153.55 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' N ' HG12 ' A' ' 67' ' ' VAL . 45.0 m-20 -106.37 97.23 7.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.03 -16.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.8 p -72.74 -32.37 65.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -105.91 -29.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.93 110.56 20.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -110.51 -31.25 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -59.67 -39.46 79.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.1 mt -85.07 -56.07 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.43 -26.7 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 t -89.75 -33.97 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.453 ' HD3' ' CE1' ' A' ' 79' ' ' TYR . 18.6 ttt85 -63.64 -42.5 98.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 22.3 m-85 -105.32 -19.62 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.27 45.29 6.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.628 HG22 ' HE1' ' A' ' 84' ' ' PHE . 24.7 mm -75.48 100.62 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -126.89 -27.35 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.91 95.11 1.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.628 ' HE1' HG22 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -97.39 153.95 38.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.646 0.736 . . . . 0.0 110.891 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.9 Cg_endo -69.77 154.14 93.22 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.345 0.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -133.5 119.47 19.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.9 mt -113.0 126.85 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' C ' HD12 ' A' ' 89' ' ' ILE . 24.0 mmtm -134.47 141.78 46.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.693 HD12 ' N ' ' A' ' 89' ' ' ILE . 1.9 mp -105.38 139.27 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.526 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 28.6 m-85 -129.16 129.62 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.505 ' OE1' HG22 ' A' ' 89' ' ' ILE . 9.8 mp0 -131.44 133.21 44.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -61.23 143.82 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.88 -41.72 2.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -116.57 162.77 17.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.1 p -74.88 153.15 86.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.526 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.5 Cg_endo -69.76 162.83 40.58 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.458 HG23 ' HB ' ' A' ' 89' ' ' ILE . 1.4 m -127.37 -176.4 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -113.55 117.82 32.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -48.25 153.81 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -52.49 -67.45 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 159.95 -16.31 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.87 97.43 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -83.37 36.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 105' ' ' ARG . 36.9 p -124.75 131.65 53.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.816 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 21.3 ptt180 -36.73 -36.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.4 p -62.63 -51.62 66.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.79 -52.82 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.5 HD13 ' CE3' ' A' ' 47' ' ' TRP . 43.5 mt -46.19 -48.5 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.024 HG22 HG23 ' A' ' 54' ' ' VAL . 75.8 t -70.76 -45.65 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 t -51.26 -31.0 19.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.664 HH12 HD21 ' A' ' 115' ' ' LEU . 21.6 tpt85 -78.85 -55.18 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.434 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -41.44 -34.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.37 -38.81 78.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' ARG . 30.3 t0 -51.88 -28.2 15.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.664 HD21 HH12 ' A' ' 111' ' ' ARG . 8.7 mt -95.9 -41.48 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.817 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 20.2 t80 -56.21 -32.44 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.3 m -68.6 -11.93 60.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -99.2 -44.1 6.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.23 -73.22 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.817 ' HB3' ' CE1' ' A' ' 116' ' ' PHE . . . -78.58 161.83 68.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 111.068 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 54.4 Cg_endo -69.68 120.16 7.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.373 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 147.31 62.27 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 87.98 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -60.78 127.38 31.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -156.7 135.12 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 tt -114.2 101.04 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -155.6 134.6 12.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 t -155.34 142.68 19.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 70.94 149.75 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.26 64.81 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.8 m -132.42 164.4 26.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.7 t -162.74 133.12 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 t -58.24 136.73 57.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -74.13 98.88 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.73 -44.55 17.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 50.74 43.5 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -123.6 2.14 8.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.92 -143.98 16.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.16 -22.4 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.42 127.4 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.5 mt -104.26 138.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -99.07 133.6 43.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -123.12 176.97 5.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.9 p -131.17 -175.62 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.88 -17.65 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -108.74 -49.97 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -61.78 -38.3 87.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -38.51 -39.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.441 ' OD1' ' CE ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -91.43 -35.52 14.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' CE ' ' OD1' ' A' ' 18' ' ' ASP . 9.3 mmpt? -67.65 -14.43 62.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -105.95 -34.88 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.723 HG22 ' CB ' ' A' ' 28' ' ' TRP . 43.1 t -87.48 -55.1 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.37 -38.24 87.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -76.21 3.2 11.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t -130.18 115.33 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -61.62 -18.17 58.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -72.35 157.51 37.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.96 138.99 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.723 ' CB ' HG22 ' A' ' 21' ' ' VAL . 24.7 m95 -126.65 114.09 17.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.5 mtp -91.14 102.35 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -92.22 131.38 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' OE2' HD23 ' A' ' 43' ' ' LEU . 6.5 tm-20 -125.59 91.31 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.863 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 52.3 m-85 -59.74 124.01 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 6.9 p90 -134.8 173.83 11.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.708 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -122.98 135.38 25.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 0.0 111.124 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.403 ' HD2' HG21 ' A' ' 70' ' ' THR . 54.5 Cg_endo -69.7 -6.1 17.75 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.705 2.27 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -125.26 1.93 7.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.708 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 51.6 t -91.66 122.08 33.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -56.03 -58.64 13.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.2 m170 -35.53 -46.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.329 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -62.76 -54.22 42.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -43.79 -37.39 2.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -75.99 -30.11 58.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' CYS . 21.9 tp -81.31 -23.1 38.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.1 tp10 -35.65 -59.62 0.71 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.665 0.745 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.1 Cg_endo -69.76 -45.18 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' CA ' ' OE1' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.0 -28.66 53.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -89.74 -38.5 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.18 81.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.83 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -42.72 -55.13 3.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.89 -50.91 17.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -37.43 84.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.791 ' HG2' HG11 ' A' ' 109' ' ' VAL . 6.3 tt0 -76.96 -14.03 59.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 50' ' ' ALA . 69.3 t -93.99 -43.91 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -70.65 -17.46 62.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -86.13 -31.75 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.685 ' HB3' HD21 ' A' ' 113' ' ' LEU . 33.6 mt-30 -90.94 -38.87 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.576 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 66.3 p -81.93 15.89 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 56.8 25.49 10.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.67 18.71 67.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 26' ' ' ASP . 16.8 tptm -83.33 -66.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.406 ' HB ' HG21 ' A' ' 58' ' ' THR . 44.8 t -73.28 118.1 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -103.02 157.08 17.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 mp -125.76 120.27 30.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.48 175.16 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.44 163.48 30.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.9 t -155.74 148.13 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.488 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -85.38 98.67 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 32' ' ' PHE . . . -60.43 -19.11 55.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 70' ' ' THR . 0.3 OUTLIER -86.13 -18.55 32.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 68' ' ' ASP . 64.6 t -106.37 -25.64 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.488 ' ND2' ' OD1' ' A' ' 68' ' ' ASP . 6.3 m-80 -94.78 111.75 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -103.29 -24.93 13.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.9 t -66.69 -35.97 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 17' ' ' PHE . 11.0 mt -92.19 -50.96 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.404 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -52.58 -29.56 26.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 t -84.39 -24.83 29.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -75.72 -35.85 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -111.0 -16.97 13.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.404 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 77.8 77.05 0.85 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.452 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.533 HG22 ' CE1' ' A' ' 84' ' ' PHE . 10.2 mm -106.69 115.97 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 111.084 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -127.68 -26.15 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.22 119.43 5.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.605 ' HD2' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -114.33 155.98 45.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.1 Cg_endo -69.74 166.71 73.3 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.394 -0.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -141.8 106.04 4.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.1 mt -94.15 123.76 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -135.76 133.69 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.557 ' HB ' HG23 ' A' ' 97' ' ' VAL . 2.9 mp -89.61 149.05 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -138.07 131.71 31.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -125.03 143.58 50.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -67.54 105.48 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.7 -47.5 1.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.89 167.39 21.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 p -83.84 142.24 41.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.683 0.754 . . . . 0.0 110.832 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 150.84 69.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.557 HG23 ' HB ' ' A' ' 89' ' ' ILE . 2.7 m -129.52 178.88 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.94 132.21 56.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -81.66 -74.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.1 t70 51.94 51.17 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.2 -132.11 3.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.33 0.13 63.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.415 ' NH1' ' HG2' ' A' ' 85' ' ' PRO . 53.9 mtt-85 62.46 28.21 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.3 132.32 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 109' ' ' VAL . 22.4 ptt180 -40.26 -40.61 1.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 m -53.83 -47.0 71.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -82.0 -51.15 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.2 mt -46.73 -41.22 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.791 HG11 ' HG2' ' A' ' 53' ' ' GLU . 87.3 t -70.95 -48.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.3 t -44.23 -48.17 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -63.25 -56.85 13.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.08 -37.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.685 HD21 ' HB3' ' A' ' 57' ' ' GLN . 43.4 mt -70.0 -40.75 75.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.49 -37.12 62.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.9 mt -88.02 -37.12 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.576 ' CD1' ' HB ' ' A' ' 58' ' ' THR . 20.1 t80 -47.65 -60.79 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 t -46.73 -42.03 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.08 -44.85 95.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.23 109.36 10.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.833 ' HB1' ' HD2' ' A' ' 121' ' ' PRO . . . -174.49 168.49 1.96 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.563 0.697 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.833 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.76 169.45 18.89 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.343 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 124.37 10.99 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.295 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -169.08 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.396 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -94.9 144.19 25.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.416 HD12 ' H ' ' A' ' 125' ' ' LEU . 5.2 mp -44.16 122.38 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 126' ' ' LEU . 1.2 tm? -156.49 122.7 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.435 ' OE1' ' C ' ' A' ' 127' ' ' GLU . 0.0 OUTLIER -127.11 119.4 26.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.9 t -131.87 133.78 45.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 130' ' ' PRO . . . 148.51 95.29 0.15 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 129' ' ' GLY . 53.8 Cg_endo -69.77 169.29 19.28 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.9 m -95.48 157.83 15.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.4 t -99.55 -178.93 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -98.48 114.99 27.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -87.01 -55.25 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.79 97.41 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.0 p -148.99 147.75 28.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 8' ' ' ASP . 1.5 t -70.33 -175.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.859 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.726 ' HA3' ' HB1' ' A' ' 48' ' ' ALA . . . -46.23 90.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' SER . 10.4 t70 38.32 28.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 7' ' ' GLY . 61.0 t -87.04 105.32 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.1 mt -80.78 136.05 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -101.74 128.05 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.7 mt -111.93 172.04 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 14' ' ' ASP . 4.3 m -133.17 164.42 27.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' N ' HG22 ' A' ' 13' ' ' THR . 14.4 m-20 -46.74 -37.46 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -100.32 -15.71 17.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 61.2 m -105.23 16.6 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -98.87 -29.83 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.893 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.401 ' HB3' HD12 ' A' ' 22' ' ' LEU . 63.9 m-20 -88.74 -52.79 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 13.3 ptmt -64.2 -10.93 26.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 16' ' ' SER . 5.0 m-80 -101.28 -28.11 12.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.533 HG22 ' CB ' ' A' ' 28' ' ' TRP . 50.1 t -101.56 -61.5 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.424 ' O ' ' CE ' ' A' ' 92' ' ' LYS . 16.8 mt -55.27 -55.32 32.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.3 -12.8 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.414 ' CB ' ' HE1' ' A' ' 28' ' ' TRP . 32.9 t -103.89 101.13 10.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -49.8 -23.44 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.19 157.83 36.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.67 145.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CB ' HG22 ' A' ' 21' ' ' VAL . 43.5 m95 -131.29 111.69 12.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mtp -87.49 101.0 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' A' ' 17' ' ' PHE . 40.6 t -85.22 130.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 5.2 tp10 -127.16 96.78 4.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -70.02 128.64 37.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.566 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 2.3 p90 -139.82 165.38 27.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . . . -122.99 137.52 28.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.547 0.689 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -18.71 37.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.395 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.558 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.2 p-90 -105.08 9.81 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.7 t -109.7 128.26 55.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.27 -53.23 43.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -40.24 -33.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -73.57 -58.52 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -46.17 -41.7 12.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -73.21 -29.48 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' HB2' ' A' ' 46' ' ' GLU . 12.3 tp -80.69 -22.42 40.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.612 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -37.91 -54.11 2.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.915 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 54.0 Cg_endo -69.79 -46.58 1.16 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' HB2' HD12 ' A' ' 43' ' ' LEU . 2.6 mp0 -55.92 -28.1 55.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 31' ' ' GLU . 58.8 t-105 -92.5 -37.96 12.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.726 ' HB1' ' HA3' ' A' ' 7' ' ' GLY . . . -56.96 -53.29 59.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.43 -49.3 76.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.696 ' HB2' ' HA ' ' A' ' 105' ' ' ARG . . . -51.25 -45.41 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.58 70.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -81.02 -31.43 34.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' HG3' HG11 ' A' ' 109' ' ' VAL . 11.4 tp10 -76.98 -20.8 55.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 HG22 ' A' ' 109' ' ' VAL . 55.1 t -84.98 -39.76 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -75.75 -20.47 58.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.8 -30.4 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.413 ' CB ' HD21 ' A' ' 113' ' ' LEU . 36.9 mt-30 -94.65 -40.09 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.571 ' HB ' ' CD1' ' A' ' 116' ' ' PHE . 34.6 p -82.56 18.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm 53.37 27.49 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.71 17.87 71.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.67 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 12.9 tppt? -77.17 -65.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.9 t -76.41 110.55 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -97.57 141.83 30.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.19 128.2 54.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.2 160.49 32.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.57 154.46 46.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.46 HG13 ' ND2' ' A' ' 72' ' ' ASN . 60.9 t -142.86 141.65 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -89.83 105.78 18.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.08 -13.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.558 HG21 ' NE1' ' A' ' 36' ' ' TRP . 31.9 p -83.05 -23.29 33.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.81 -35.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.549 ' OD1' HD12 ' A' ' 75' ' ' LEU . 3.8 m-80 -87.89 110.81 20.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -106.87 -39.73 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.4 t -55.08 -39.41 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.549 HD12 ' OD1' ' A' ' 72' ' ' ASN . 5.6 mt -87.27 -52.09 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -49.5 -39.23 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 t -78.27 -37.92 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -52.32 -51.81 56.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -100.96 -16.5 17.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 80.18 86.87 0.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.949 HG22 ' CE1' ' A' ' 84' ' ' PHE . 50.4 mm -105.02 115.59 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -134.38 -34.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.41 101.66 2.08 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.949 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -104.08 155.83 36.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.737 . . . . 0.0 110.894 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 54.0 Cg_endo -69.71 162.99 82.86 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.362 -0.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.481 HG21 HD12 ' A' ' 81' ' ' ILE . 3.6 m -140.05 108.84 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.401 ' CG1' ' OE2' ' A' ' 31' ' ' GLU . 18.5 mt -95.81 124.27 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -134.18 126.31 29.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.461 ' HB ' HG23 ' A' ' 97' ' ' VAL . 2.7 mp -88.63 147.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 94.4 m-85 -138.03 127.94 25.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -124.62 131.09 53.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' CE ' ' O ' ' A' ' 22' ' ' LEU . 21.0 tttm -50.08 124.63 10.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.54 -41.83 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -76.04 163.53 27.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.5 t -85.02 139.49 36.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 54.0 Cg_endo -69.75 153.6 68.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.461 HG23 ' HB ' ' A' ' 89' ' ' ILE . 3.6 m -129.83 171.35 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -112.63 116.87 30.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.422 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 89.1 t80 -84.26 128.81 34.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -127.31 65.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -87.8 -149.56 17.5 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.25 17.27 58.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.531 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 56.19 25.44 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.442 ' C ' HD12 ' A' ' 108' ' ' ILE . 0.9 OUTLIER -122.13 139.42 53.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.696 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 20.4 ptt180 -46.49 -36.34 6.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -54.75 -53.16 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -75.7 -52.16 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 104' ' ' THR . 21.2 mt -46.51 -42.21 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 54' ' ' VAL . 44.9 t -72.21 -47.7 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.3 t -45.3 -44.2 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 114' ' ' ASP . 0.0 OUTLIER -71.57 -53.05 15.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.05 -30.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 57' ' ' GLN . 85.8 mt -77.8 -38.74 45.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' ARG . 2.9 m-20 -57.27 -30.8 64.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -93.93 -35.99 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.612 ' CE1' ' CB ' ' A' ' 120' ' ' ALA . 7.0 t80 -48.3 -57.61 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' ASP . 24.9 t -52.21 -56.05 17.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' SER . 15.2 m-20 -35.76 -55.84 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.35 -74.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.67 ' HB2' ' HG2' ' A' ' 61' ' ' LYS . . . -51.68 140.22 28.32 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.559 0.695 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.469 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 53.5 Cg_endo -69.82 112.29 3.05 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 121' ' ' PRO . 53.3 Cg_endo -69.82 166.27 28.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.325 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.801 ' HG2' HD23 ' A' ' 125' ' ' LEU . 53.8 Cg_endo -69.73 164.51 34.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.23 93.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.801 HD23 ' HG2' ' A' ' 123' ' ' PRO . 1.8 pp -160.04 159.29 31.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.6 mp -53.57 84.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.1 mp0 -42.23 155.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.1 p -168.83 160.23 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 131.57 80.37 0.2 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -13.13 34.33 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.7 m -79.49 127.0 31.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 45.9 t -167.11 125.26 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -112.81 139.66 48.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 m -114.67 -61.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.22 162.61 31.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -63.42 -61.77 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m -121.62 42.31 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.65 -143.21 32.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.04 -39.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.365 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.2 t -57.71 125.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.3 mt -96.06 149.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -102.82 134.56 46.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.0 mt -118.69 163.79 16.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.538 HG22 ' H ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -122.88 171.16 9.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.538 ' H ' HG22 ' A' ' 13' ' ' THR . 0.5 OUTLIER -53.85 -31.8 50.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.813 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.02 -45.03 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -59.1 -32.92 70.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 30' ' ' VAL . 1.4 t80 -44.07 -47.43 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.922 ' HB2' HD12 ' A' ' 22' ' ' LEU . 1.2 p30 -76.64 -48.23 19.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -62.34 -12.25 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -106.03 -25.49 12.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.629 HG22 ' CB ' ' A' ' 28' ' ' TRP . 38.3 t -104.57 -62.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.922 HD12 ' HB2' ' A' ' 18' ' ' ASP . 53.5 mt -56.11 -43.82 78.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -79.15 9.07 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -122.18 115.03 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -64.91 -14.79 60.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.4 158.0 23.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.4 t -73.39 142.4 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.629 ' CB ' HG22 ' A' ' 21' ' ' VAL . 47.8 m95 -129.97 116.44 18.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.6 mtp -93.27 99.36 11.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 17' ' ' PHE . 60.4 t -85.33 127.89 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.565 ' OE2' HD21 ' A' ' 43' ' ' LEU . 9.0 tt0 -127.06 107.84 10.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -83.79 126.4 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 33' ' ' TYR . 3.7 p90 -135.96 169.07 18.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -123.12 133.41 24.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 0.0 111.094 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -9.85 27.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -117.42 13.76 14.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 53.7 t -112.14 129.56 56.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -56.8 -62.69 6.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.4 m170 -36.39 -41.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -62.64 -54.47 38.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -51.93 -31.24 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -80.64 -28.75 36.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' ' 46' ' ' GLU . 59.8 tp -83.59 -12.11 56.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 tt0 -52.8 -58.8 10.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.636 0.732 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.4 Cg_endo -69.76 -25.03 29.04 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.302 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.644 ' HB2' HD12 ' A' ' 43' ' ' LEU . 58.2 mm-40 -77.15 -31.3 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.521 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 56.7 t-105 -87.13 -42.5 12.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.46 -53.94 32.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.28 -52.71 52.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.833 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -42.17 -35.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.504 ' HA ' HD22 ' A' ' 64' ' ' LEU . . . -63.9 -44.72 92.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -69.37 -43.36 73.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.486 ' CG ' HG11 ' A' ' 109' ' ' VAL . 6.2 tp10 -65.91 -27.71 68.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 50' ' ' ALA . 84.6 t -87.4 -37.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 60' ' ' GLY . 8.3 tttm -68.71 -37.97 79.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -76.49 -35.34 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.463 ' HB3' HD21 ' A' ' 113' ' ' LEU . 24.3 mt-30 -77.4 -40.65 42.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 54' ' ' VAL . 19.6 p -88.2 6.04 38.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.15 26.32 16.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . 92.07 -11.43 72.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.744 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 17.0 tptm -52.21 -67.57 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.341 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.43 ' HB ' HG21 ' A' ' 58' ' ' THR . 21.5 t -80.38 107.09 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.523 ' HE2' ' CH2' ' A' ' 28' ' ' TRP . 25.7 mtpt -95.58 150.81 19.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 51' ' ' ALA . 10.1 mp -116.41 132.26 56.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.89 163.56 29.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.2 153.99 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.0 t -136.92 136.77 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.02 101.59 14.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.94 -11.78 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.0 p -80.51 -16.44 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.0 t -119.94 -37.3 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -82.67 107.19 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -107.87 -33.81 7.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -53.24 -39.47 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 78' ' ' ARG . 17.4 mt -88.85 -55.35 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.73 -28.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -89.4 -35.09 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 75' ' ' LEU . 42.9 ttt85 -61.85 -45.05 95.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -99.1 -19.52 17.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.56 37.23 9.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.646 HD12 HG21 ' A' ' 86' ' ' THR . 25.2 mm -66.52 103.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -128.28 -29.88 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.43 99.33 1.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.554 ' CE1' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -96.74 153.92 38.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.876 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.6 Cg_endo -69.79 166.57 73.78 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.344 -0.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.646 HG21 HD12 ' A' ' 81' ' ' ILE . 33.4 m -141.68 111.96 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.165 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.7 mt -102.76 124.19 56.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -135.19 136.01 41.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.51 HG21 HD13 ' A' ' 115' ' ' LEU . 4.9 mp -105.31 135.76 42.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 38.4 m-85 -124.4 129.76 51.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -120.34 141.9 49.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 22' ' ' LEU . 2.0 tppt? -71.82 118.76 15.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.56 -39.7 2.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -108.85 167.06 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.9 p -77.6 155.83 80.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.685 0.755 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.581 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.8 Cg_endo -69.74 163.44 38.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.388 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 1.8 m -123.05 -179.17 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -122.64 106.39 10.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -70.98 117.57 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -134.23 116.71 15.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.62 -129.2 1.5 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -83.8 168.18 45.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.519 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.9 ttp-105 -119.44 50.55 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.833 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ARG . 72.6 p -137.2 137.26 38.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 109' ' ' VAL . 17.2 ptt85 -37.51 -36.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m -53.21 -59.02 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.35 -53.96 30.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.1 mt -46.99 -39.81 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.752 HG22 HG23 ' A' ' 54' ' ' VAL . 47.9 t -74.1 -47.23 42.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.5 t -45.3 -45.7 12.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 114' ' ' ASP . 13.2 tpp180 -65.25 -54.22 32.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.456 ' HB1' HG13 ' A' ' 54' ' ' VAL . . . -40.98 -37.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 57' ' ' GLN . 77.7 mt -75.04 -37.89 61.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 111' ' ' ARG . 2.0 m-20 -57.68 -27.4 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.51 HD13 HG21 ' A' ' 89' ' ' ILE . 9.8 mt -95.64 -43.71 7.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.76 ' CD1' ' HB3' ' A' ' 120' ' ' ALA . 10.4 t80 -48.49 -40.52 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.1 p -67.04 -38.5 85.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -43.01 89.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -91.65 -74.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.76 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . . . -67.3 151.56 97.02 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.436 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 53.3 Cg_endo -69.8 110.29 2.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 121' ' ' PRO . 53.5 Cg_endo -69.73 164.5 34.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.339 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 166.48 27.53 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.296 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -100.15 118.19 35.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.59 17.49 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 128' ' ' SER . 14.8 tp -141.14 115.07 9.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -50.49 -47.11 57.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.505 ' O ' HD23 ' A' ' 126' ' ' LEU . 35.4 t -89.52 137.87 31.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -127.25 -157.02 9.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.51 35.63 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.389 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 64.9 m -52.07 -51.25 58.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 42.4 t -112.1 153.33 27.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -72.79 109.72 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 m -83.24 163.0 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.01 -150.35 9.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 p -116.62 39.27 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -173.67 111.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.34 -130.08 2.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' CG ' ' HD3' ' A' ' 55' ' ' LYS . 29.5 t70 -83.21 -16.88 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 48' ' ' ALA . 41.3 t -57.07 122.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.402 ' CD1' ' HE3' ' A' ' 63' ' ' LYS . 28.6 mt -95.08 150.75 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -109.48 127.93 54.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 20' ' ' ASN . 53.7 mt -119.75 172.09 7.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 p -133.1 -177.0 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.71 -30.46 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -101.96 -45.84 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -61.55 -30.97 71.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -47.07 -39.82 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.57 -44.84 10.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -62.29 -18.33 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.561 ' HB2' HD22 ' A' ' 12' ' ' LEU . 28.7 m-80 -104.04 -22.53 13.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' PHE . 94.2 t -101.76 -64.78 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.43 -33.2 69.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -71.77 -1.11 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t -133.87 131.54 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -77.56 4.13 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.97 157.89 18.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.25 127.32 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -115.83 111.0 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.1 mtp -86.36 108.9 18.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 17' ' ' PHE . 57.3 t -93.73 125.94 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' CG ' HD21 ' A' ' 43' ' ' LEU . 4.0 tp10 -124.35 99.49 6.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -74.88 130.16 38.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.515 ' CD1' ' SG ' ' A' ' 40' ' ' CYS . 4.9 p90 -135.61 169.39 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' HB3' ' CB ' ' A' ' 37' ' ' CYS . . . -123.12 132.74 24.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.536 0.684 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -13.44 34.65 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.421 ' NE1' HG21 ' A' ' 70' ' ' THR . 2.5 p-90 -115.29 17.17 16.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 13.7 t -118.23 120.44 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' HIS . . . -50.24 -55.17 16.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' GLY . 35.8 m170 -37.41 -46.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.515 ' SG ' ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -58.43 -51.51 69.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -48.53 45.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -68.23 -14.0 62.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD21 ' CG ' ' A' ' 31' ' ' GLU . 11.3 tp -94.69 -20.93 19.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.4 tt0 -46.98 -59.16 5.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.652 0.739 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 53.5 Cg_endo -69.79 -29.11 24.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -70.22 -33.4 71.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.474 ' CZ3' HG21 ' A' ' 108' ' ' ILE . 44.5 t-105 -86.33 -42.71 13.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HA ' ' CG2' ' A' ' 9' ' ' VAL . . . -52.54 -43.83 65.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.55 -50.93 18.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -45.58 -46.97 14.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.41 -48.12 65.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 m -67.73 -42.79 81.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.503 ' HG3' HG11 ' A' ' 109' ' ' VAL . 7.3 tp10 -69.01 -25.14 64.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.998 HG23 HG22 ' A' ' 109' ' ' VAL . 54.8 t -84.69 -43.88 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.153 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HD3' ' CG ' ' A' ' 8' ' ' ASP . 5.9 pttp -69.64 -24.12 63.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.6 -30.56 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.442 HE22 ' CG1' ' A' ' 109' ' ' VAL . 33.9 mt-30 -89.72 -39.4 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.841 HG22 ' HB2' ' A' ' 116' ' ' PHE . 65.8 p -82.44 19.0 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm 51.28 25.58 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.01 21.12 58.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -86.81 -68.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.611 ' HB ' HG21 ' A' ' 58' ' ' THR . 48.6 t -74.92 103.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.402 ' HE3' ' CD1' ' A' ' 10' ' ' ILE . 16.7 mtpp -92.62 151.55 20.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mp -117.57 128.23 54.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.93 170.41 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.44 156.74 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -143.12 139.46 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 99.54 12.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.468 ' CB ' ' CZ ' ' A' ' 84' ' ' PHE . . . -55.08 -15.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.421 HG21 ' NE1' ' A' ' 36' ' ' TRP . 41.1 p -78.22 -25.03 46.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -107.99 -37.14 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.2 108.2 14.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -106.06 -37.05 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.61 -42.09 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 17' ' ' PHE . 50.9 mt -80.87 -57.93 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.455 ' O ' ' CA ' ' A' ' 80' ' ' GLY . . . -41.52 -41.7 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -75.45 -44.27 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -46.66 -54.0 10.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -96.67 -21.26 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 76' ' ' ALA . . . 80.23 77.19 0.97 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.679 HD12 HG21 ' A' ' 86' ' ' THR . 2.1 mm -102.21 105.11 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.102 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -126.79 24.42 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.05 90.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.538 ' HA ' ' C ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -93.38 154.99 41.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.673 0.749 . . . . 0.0 110.881 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.79 162.92 83.21 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.337 0.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.679 HG21 HD12 ' A' ' 81' ' ' ILE . 37.2 m -139.04 105.11 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.4 mt -95.11 118.97 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -128.14 146.79 50.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.538 HG21 HD13 ' A' ' 115' ' ' LEU . 5.4 mp -113.84 137.28 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 96' ' ' PRO . 81.5 m-85 -123.5 120.8 33.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.731 ' NE2' HD22 ' A' ' 115' ' ' LEU . 77.8 mt-30 -118.06 122.63 43.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -46.47 136.91 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.79 -44.63 3.39 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -96.31 161.0 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.366 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 m -79.78 159.67 70.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.579 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.75 156.56 63.07 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.4 ' CG2' ' HB ' ' A' ' 89' ' ' ILE . 1.1 m -121.67 176.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.86 106.43 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.528 ' CE2' ' HA3' ' A' ' 101' ' ' GLY . 68.0 t80 -75.66 137.29 40.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -133.41 66.59 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.528 ' HA3' ' CE2' ' A' ' 99' ' ' TYR . . . -93.66 -152.49 29.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -108.65 26.51 15.86 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.474 ' CD ' ' HG3' ' A' ' 85' ' ' PRO . 16.7 ttp-105 49.02 38.63 12.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -134.58 133.21 39.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.529 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.7 ptt180 -43.1 -36.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 m -56.94 -44.95 83.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -81.38 -50.98 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.474 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 24.2 mt -48.36 -44.9 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.998 HG22 HG23 ' A' ' 54' ' ' VAL . 73.5 t -73.64 -45.94 49.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.8 t -51.86 -20.53 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -93.81 -54.69 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.2 -29.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.428 HD21 ' NE2' ' A' ' 57' ' ' GLN . 92.0 mt -64.88 -43.93 91.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.74 -42.71 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.731 HD22 ' NE2' ' A' ' 91' ' ' GLN . 6.7 mt -75.96 -41.22 52.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.841 ' HB2' HG22 ' A' ' 58' ' ' THR . 16.1 t80 -37.89 -57.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.2 t -55.35 -55.4 32.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -39.69 -45.06 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -91.15 -75.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.669 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . . . -53.79 154.36 7.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 111.061 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 130.06 18.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.68 26.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.374 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.85 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -38.49 154.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.729 ' O ' HD23 ' A' ' 125' ' ' LEU . 1.4 tt -85.53 17.08 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.99 42.93 1.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -159.39 150.07 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.1 m -50.26 112.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 151.04 70.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.97 3.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.349 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 75.7 m 62.9 47.06 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.3 t -154.54 177.92 10.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.944 . . . . . . . . 0 0 . 1 stop_ save_