data_1jm7_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 1jm7 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.444 ' CD2' ' CZ2' ' B' ' 34' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.858 0.361 . . . . 0.0 110.808 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m 62.2 17.6 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.219 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.47 21.7 5.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.428 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.33 107.49 18.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.7 39.75 31.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.87 -30.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.14 -31.61 64.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.66 -48.69 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.9 t -58.22 -56.01 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.226 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -49.28 -32.22 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -31.4 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.668 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 36.9 t -79.3 -30.53 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.978 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.4 mm -71.57 -35.82 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -70.9 -51.59 25.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.44 -29.91 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.1 tpp -68.26 -43.87 76.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -59.67 -29.53 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -58.44 -42.89 88.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.408 ' HA ' ' NE2' ' B' ' 100' ' ' GLN . 4.7 mp -67.33 -29.45 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.73 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.6 mm? -105.65 35.14 2.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -99.61 -169.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.449 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 9.9 t -111.61 138.71 21.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.931 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -93.69 11.6 1.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.96 2.44 . . . . 0.0 114.042 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pp -138.97 -52.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.5 p -106.0 -3.98 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 60.6 31.95 20.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.581 0.229 . . . . 0.0 111.358 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.5 mm-40 -111.62 124.75 52.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.623 0.249 . . . . 0.0 110.751 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.5 tp -38.11 101.78 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.479 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.4 pt -53.69 138.46 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.618 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -108.76 -44.95 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -107.58 77.55 0.61 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.39 120.24 7.97 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.62 2.213 . . . . 0.0 112.49 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 p -129.24 132.29 67.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.852 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 p -81.15 123.16 28.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.424 HG21 ' CD1' ' A' ' 43' ' ' PHE . 77.3 p -91.86 162.89 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' CE ' ' CH2' ' B' ' 91' ' ' TRP . 4.8 tptm -45.96 -28.29 1.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.728 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.6 t -94.02 26.8 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.316 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 52.83 38.67 27.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.342 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.441 ' CE1' HD22 ' A' ' 63' ' ' LEU . 36.3 m-70 -115.47 158.02 23.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.414 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 42.5 mm -100.49 155.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.406 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.424 ' CD1' HG21 ' A' ' 37' ' ' THR . 33.0 m-85 -152.33 -177.53 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.608 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.2 m -102.45 22.95 12.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.915 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? 69.27 -65.27 0.3 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -56.35 -34.41 66.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.6 m -58.23 -33.76 69.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.4 mmt -70.9 -34.16 71.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.05 -44.62 91.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.786 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -40.15 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.45 -30.56 71.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mt -94.07 -29.04 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -65.53 -31.07 71.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.12 132.31 53.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.1 70.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.53 18.25 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.93 -154.33 49.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.546 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.42 141.04 7.87 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.748 2.299 . . . . 0.0 112.609 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -57.6 154.14 11.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -118.25 107.37 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.418 ' N ' ' HA ' ' A' ' 66' ' ' ASN . 25.2 t -51.42 107.0 0.72 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.204 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.91 -9.09 25.02 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.37 2.047 . . . . 0.0 112.444 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' A' ' 41' ' ' HIS . 3.6 mp -77.95 -36.52 49.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.046 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.8 p -115.81 -52.76 2.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.849 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.84 -35.91 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.302 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 18.5 p30 -178.27 -155.83 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.834 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 16.4 t70 82.8 68.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.947 0.403 . . . . 0.0 111.686 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.5 mt -157.05 142.94 9.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.816 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.0 p -144.95 165.69 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -60.18 -65.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.767 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -73.85 64.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 m -147.4 -66.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.3 163.68 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -169.09 130.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.87 100.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.1 m -95.57 -25.21 16.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.2 m 62.59 67.09 0.73 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.4 ttp-105 -112.17 -36.78 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.76 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.429 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.5 m-85 -104.79 30.25 5.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.763 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.3 p -84.31 -63.31 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -58.4 -29.81 66.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.61 -31.42 72.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 t -83.52 -46.37 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.48 -46.23 80.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.78 -49.94 75.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.03 -44.8 61.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.991 0.424 . . . . 0.0 111.005 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.11 -38.4 68.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.23 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -26.2 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.096 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.8 mt -69.9 -42.32 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.414 HG12 ' CZ ' ' A' ' 101' ' ' TYR . 3.6 mt -65.88 -34.43 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.049 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.52 -41.31 98.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' B' ' 36' ' ' HIS . . . -65.44 -35.89 82.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -59.14 -54.48 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.88 -30.15 70.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -40.17 84.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -98.34 -72.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.5 p -60.24 -52.74 63.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.41 27.5 43.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.594 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.5 mp -89.03 161.49 16.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.49 149.64 48.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.414 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 24.7 t80 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.836 0.351 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . 0.444 ' CZ2' ' CD2' ' A' ' 3' ' ' LEU . 22.6 m95 59.44 30.18 19.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.06 -51.96 10.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -62.26 -31.3 71.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.403 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 2.8 t -68.87 -36.32 77.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.37 -45.01 95.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.87 73.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.4 82.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 tp -59.97 -50.18 74.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.52 -37.63 76.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -61.86 -52.23 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.32 -32.92 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.39 -37.45 80.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.981 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -30.77 67.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.55 -12.79 59.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.288 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -109.93 -26.01 9.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.713 0.292 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -51.38 119.23 3.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.117 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 54.1 t -58.49 156.51 10.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.69 -38.42 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.4 -56.27 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.407 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.0 m -72.31 -9.62 58.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.369 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.52 41.02 4.35 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.954 0.407 . . . . 0.0 111.427 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.92 176.88 10.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 4.0 mp -57.73 134.95 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.804 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.34 176.87 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.31 118.79 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.549 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 33.7 tt0 53.27 52.58 10.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.51 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 61.1 Cg_endo -72.84 -173.78 1.32 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.632 2.221 . . . . 0.0 112.633 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.69 144.5 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.804 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 44.5 t -61.0 -99.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tm? 76.59 -52.64 0.59 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.813 0.34 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.56 73.92 0.23 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.76 -25.0 14.31 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.653 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -87.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.394 0.14 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -155.69 23.21 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.654 0.264 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.42 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 8.5 m80 -111.5 158.12 19.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 111.001 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 7.4 mt -150.17 147.03 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.89 170.75 15.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.96 176.53 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.721 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.9 m -94.32 22.67 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.77 19.17 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.199 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 10.0 m -127.57 -46.58 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 10.0 p -67.57 -30.12 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.021 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -24.89 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.263 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -94.77 25.25 4.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.054 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.02 32.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.76 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.6 mm -78.1 -26.52 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.236 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.07 42.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.681 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 80.9 m -107.98 -70.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.75 -113.84 0.64 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.6 t -91.02 134.15 30.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.571 0.224 . . . . 0.0 110.792 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.61 -12.9 18.35 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.474 2.116 . . . . 0.0 112.905 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.42 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 21.7 t -107.15 -67.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 111.345 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 87.4 m -65.68 -15.84 63.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 61.85 21.33 12.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.721 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 85.0 m -77.74 139.7 62.7 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.779 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.24 143.81 60.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.435 2.09 . . . . 0.0 112.258 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.02 144.73 48.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.065 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . 0.45 ' CH2' ' CE ' ' A' ' 38' ' ' LYS . 16.5 t90 -108.73 -23.77 11.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 pt -111.04 115.0 48.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -69.19 -41.46 77.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.16 146.44 23.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.66 78.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -71.74 172.12 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 25.9 mm -129.7 158.74 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -121.27 97.99 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -60.06 -31.26 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 21' ' ' ILE . 1.3 mm-40 -62.69 -64.29 0.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.79 -33.2 68.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -63.32 -47.99 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -31.36 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.763 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.5 mtp -62.94 -37.85 88.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 6.5 mt -64.92 -49.52 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -43.33 83.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 2.6 mt -62.25 -44.64 96.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.32 -34.96 72.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -61.26 -39.1 89.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.635 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.51 -59.15 5.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.72 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 5.3 mt -48.96 -35.83 16.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -39.9 80.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -76.59 -35.37 58.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 55.4 mt -59.76 -38.52 82.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -38.53 59.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -68.78 -41.38 78.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.94 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.446 ' CD1' ' CZ2' ' B' ' 34' ' ' TRP . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.945 0.403 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 76.42 1.99 3.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.621 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.96 23.58 6.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.73 0.3 . . . . 0.0 111.454 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.25 -29.51 23.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.194 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.404 ' O ' ' CZ2' ' B' ' 34' ' ' TRP . 5.6 ttt180 -179.1 74.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.3 t -107.84 -46.04 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.84 -33.92 72.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -68.27 -55.46 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.0 t -58.53 -39.85 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -44.28 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.061 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.54 -30.07 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 t -67.79 -30.0 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.22 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mm -79.35 -36.15 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -65.02 -52.36 56.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.78 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.8 ttm -56.4 -48.13 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -36.26 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -62.47 -32.77 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.783 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.9 mt -68.64 -30.63 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.943 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.456 ' CD2' ' CE1' ' A' ' 79' ' ' PHE . 5.5 mt -111.45 30.39 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.666 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -87.18 -165.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.452 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 11.7 t -112.06 138.79 21.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.005 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -93.72 12.81 1.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 123.012 2.475 . . . . 0.0 114.08 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.408 ' CD1' ' N ' ' A' ' 27' ' ' CYS . 2.5 pp -141.3 -51.76 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.408 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 23.5 p -106.56 -3.65 20.55 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 59.28 33.29 22.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.355 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.6 mm-40 -111.94 127.19 55.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.618 0.247 . . . . 0.0 110.795 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.9 tp -38.66 99.51 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.962 0.411 . . . . 0.0 111.264 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.8 pt -49.15 132.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.845 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -103.07 -46.18 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.293 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -107.24 74.61 0.41 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.153 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.95 126.67 22.98 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.804 2.336 . . . . 0.0 112.738 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 27.6 m -126.03 176.7 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.453 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 p -127.2 114.49 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' CE1' ' A' ' 43' ' ' PHE . 7.8 p -84.12 158.96 21.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HA ' ' CZ3' ' B' ' 91' ' ' TRP . 17.9 tttt -47.5 -26.41 1.39 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.643 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.5 t -91.23 23.83 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 111.361 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 54.97 34.97 23.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.229 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.428 ' CE1' HD22 ' A' ' 63' ' ' LEU . 26.5 m-70 -107.87 161.97 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 40.0 mm -109.07 147.99 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 111.629 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CE1' HG23 ' A' ' 37' ' ' THR . 37.7 m-85 -147.03 -177.64 5.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 5.5 m -100.47 29.64 4.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' NZ ' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER 69.15 -69.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -26.94 68.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.388 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.1 m -52.07 -29.07 19.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.769 0.319 . . . . 0.0 111.127 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.0 mmm -77.56 -32.01 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -52.76 47.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -39.55 74.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -60.05 -30.5 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mt -74.78 -30.97 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -90.44 -30.71 17.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -59.16 -31.57 69.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -123.56 135.97 54.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -59.55 111.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.46 -156.76 15.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -51.51 176.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.59 2.194 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.32 -39.6 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.52 104.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 t -52.56 108.93 1.21 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.48 -9.14 25.23 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.332 2.021 . . . . 0.0 112.45 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.428 HD22 ' CE1' ' A' ' 41' ' ' HIS . 3.3 mp -82.09 -31.24 30.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.124 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.3 m -117.47 -61.81 1.65 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.882 0.372 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.79 -30.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.49 138.92 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.89 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.34 39.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.3 mt -151.39 153.35 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -162.03 67.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mttt 63.25 -79.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -87.16 55.28 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -111.27 -51.47 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.405 ' CD1' ' NZ ' ' A' ' 45' ' ' LYS . 1.1 pt? -75.59 -174.31 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -151.86 130.88 12.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -74.16 136.29 42.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -168.02 -175.47 2.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.3 m -127.76 92.79 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 78' ' ' ARG . 4.9 ttm105 -127.47 -53.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.456 ' CE1' ' CD2' ' A' ' 22' ' ' LEU . 2.2 m-85 -98.34 28.53 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.9 t -90.69 -62.27 1.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -57.61 -28.82 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 79' ' ' PHE . 3.3 mt -67.77 -33.08 74.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.1 t -77.47 -41.68 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.51 -47.7 66.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.789 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -39.55 79.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.3 tp -59.92 -45.28 93.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.734 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 tp -55.92 -31.97 63.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.78 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -73.42 -33.01 64.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 29.5 mt -68.62 -34.84 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.42 HG23 ' CD2' ' A' ' 101' ' ' TYR . 3.9 mt -71.69 -44.18 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.2 m -58.99 -34.46 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.405 ' O ' ' CE1' ' B' ' 36' ' ' HIS . . . -68.04 -38.59 82.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.042 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -58.61 -49.22 78.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -64.57 -27.41 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -50.4 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -93.32 -66.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.6 p -60.19 -57.23 13.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.39 28.08 31.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.603 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.1 mp -87.3 162.03 17.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -69.29 176.37 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.42 ' CD2' HG23 ' A' ' 90' ' ' ILE . 86.3 t80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.88 0.372 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . 0.446 ' CZ2' ' CD1' ' A' ' 3' ' ' LEU . 21.9 m95 60.23 31.34 20.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.73 -50.34 8.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.405 ' CE1' ' O ' ' A' ' 92' ' ' ALA . 9.5 p80 -60.02 -29.68 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.995 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.403 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 29.1 t -71.87 -35.71 69.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -60.19 -42.14 94.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.09 64.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.01 92.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.57 -41.62 90.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.22 -31.49 70.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -64.08 -46.72 83.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 tt -67.84 -32.91 73.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.74 -39.58 85.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.7 -30.84 67.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.23 -31.28 62.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mp -88.76 -22.55 23.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.54 117.54 2.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 50.5 t -56.86 155.41 7.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.016 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -37.61 41.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -86.3 -56.79 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.4 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.1 m -67.27 -14.42 62.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.299 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.47 37.01 1.87 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.803 0.335 . . . . 0.0 111.299 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -159.05 -171.76 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.779 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -59.32 126.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.55 -178.72 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.1 125.22 9.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.1 tp10 54.79 52.39 8.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 71.7 Cg_endo -76.89 179.62 6.32 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.532 2.155 . . . . 0.0 112.584 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.07 152.81 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.047 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.43 -77.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 76.56 107.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.812 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.71 -66.44 2.4 Favored Glycine 0 C--N 1.318 -0.466 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.633 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.13 56.31 0.84 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -122.04 -86.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.62 0.248 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -157.4 23.93 0.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 110.982 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.425 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 32.7 m170 -132.53 115.42 15.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.964 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.95 145.83 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -136.56 176.41 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.8 p -92.43 156.18 17.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.6 t -58.64 -20.59 49.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.28 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -94.16 19.59 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.485 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 8.3 m -141.87 -53.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.819 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.403 ' CG2' ' CD1' ' B' ' 79' ' ' ILE . 13.1 p -59.3 -29.98 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 5.8 m -54.04 -23.93 15.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.285 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -94.01 25.15 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 5.6 t -163.69 30.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.403 ' CD1' ' CG2' ' B' ' 75' ' ' VAL . 12.5 mm -91.4 160.94 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.51 -34.61 5.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.092 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -95.48 -63.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.623 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.25 -114.34 0.76 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.354 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.8 t -121.16 134.31 24.39 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.618 0.247 . . . . 0.0 110.766 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.13 -11.75 13.35 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.611 2.207 . . . . 0.0 113.036 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.425 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 21.2 t -106.85 -67.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 111.378 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 93.8 m -64.93 -15.03 61.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 65.43 20.75 11.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 90.7 m -84.71 113.7 50.97 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.05 142.66 53.34 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.297 1.998 . . . . 0.0 112.245 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.86 89.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.953 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . 0.421 ' CZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -56.39 -24.07 42.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.331 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.78 96.2 4.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -59.2 -33.65 71.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.69 155.86 17.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.06 80.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -77.3 169.54 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.429 HG21 HD11 ' B' ' 97' ' ' ILE . 24.1 mm -131.59 153.92 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.277 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -111.77 87.85 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.663 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -37.72 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.19 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.07 -44.15 97.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 10.4 mt -69.6 -44.87 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -65.06 -50.67 65.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.8 t -53.77 -33.05 54.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.669 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 23.3 ttm -67.25 -34.88 78.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.552 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 mt -58.11 -45.09 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.597 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.28 -38.32 83.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.453 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.23 -50.3 64.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.8 t -57.97 -36.26 72.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.72 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -35.3 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.63 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -60.52 -50.34 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.671 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.28 -34.17 70.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.61 82.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -79.77 -31.81 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.766 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.3 mt -71.09 -35.87 71.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.45 -36.63 71.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -130.44 108.28 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.915 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.418 HD21 ' CH2' ' B' ' 34' ' ' TRP . 1.1 tp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 59.18 26.21 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 7' ' ' ARG . . . 62.51 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.65 -78.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 5' ' ' ALA . 2.4 ttt85 -167.65 33.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.409 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 21.6 t -59.12 -30.69 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.72 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.33 -41.58 89.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.4 HG13 ' CE1' ' A' ' 93' ' ' PHE . 23.9 t -69.84 -31.09 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.054 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.59 -36.33 82.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -71.88 -31.26 66.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 t -65.66 -55.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.11 -30.05 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.11 -49.12 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.49 93.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 ttm -56.8 -47.01 81.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.036 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -39.5 86.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -59.81 -36.5 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.3 mt -63.24 -27.77 43.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.416 ' CD2' ' CE2' ' A' ' 79' ' ' PHE . 3.5 mt -114.62 44.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.586 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.41 -174.32 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 9.5 t -104.01 140.41 21.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.546 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.418 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 69.4 Cg_endo -91.99 -10.74 2.31 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.696 2.264 . . . . 0.0 114.773 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 27' ' ' CYS . 3.1 pt -131.63 -33.71 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.47 ' N ' HG13 ' A' ' 26' ' ' ILE . 16.6 m -101.93 -15.87 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.607 0.241 . . . . 0.0 111.335 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.432 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 3.3 mm? 60.24 26.77 16.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.821 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.5 mt-10 -111.5 125.89 54.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 tp -41.2 100.21 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.3 pt -50.92 133.43 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.509 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -110.85 -29.98 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -114.31 83.19 8.1 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.748 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.13 125.58 15.19 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.591 2.194 . . . . 0.0 112.55 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.63 119.4 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 t -78.65 138.0 38.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.0 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.437 HG22 ' CE2' ' A' ' 43' ' ' PHE . 9.8 p -107.05 161.04 15.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HA ' ' CZ3' ' B' ' 91' ' ' TRP . 8.3 tttp -48.94 -26.01 2.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.496 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.8 t -91.65 21.87 4.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 t70 56.4 42.19 27.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.443 ' CE1' HD23 ' A' ' 63' ' ' LEU . 50.2 m-70 -124.15 158.14 33.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.065 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.5 mm -100.75 157.87 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.325 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE2' HG22 ' A' ' 37' ' ' THR . 45.1 m-85 -152.34 -177.21 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.54 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.6 p -128.13 45.56 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 111.345 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.62 157.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.656 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 75.84 -49.22 0.61 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.102 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.8 m -45.59 -29.88 1.33 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.826 0.346 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.1 mmm -78.57 -36.99 43.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.26 -55.33 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -60.11 -47.09 87.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.36 -30.8 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.4 mt -86.12 -32.13 21.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -77.86 -37.2 48.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -59.88 -31.62 69.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -124.6 115.91 21.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -59.67 104.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.62 -163.15 19.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.05 142.58 43.88 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -175.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -150.61 105.36 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.7 t -47.78 107.76 0.79 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.301 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.05 -5.17 16.73 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.37 2.047 . . . . 0.0 112.481 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.443 HD23 ' CE1' ' A' ' 41' ' ' HIS . 4.1 mp -82.31 -34.15 28.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.011 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 p -118.25 -55.4 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 171.69 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.3 p30 172.12 139.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.63 40.95 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.3 mt -148.49 150.52 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.48 -179.06 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -80.84 134.16 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? 60.44 78.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -174.89 77.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.46 167.21 14.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -136.03 76.38 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.74 102.31 2.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.94 151.19 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -78.49 79.54 4.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -116.84 -58.67 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.416 ' CE2' ' CD2' ' A' ' 22' ' ' LEU . 4.3 m-85 -99.15 33.63 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.63 -59.09 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -63.2 -29.88 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.782 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.4 mt -64.88 -42.22 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 t -69.8 -43.36 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.04 -48.03 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.79 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -34.38 73.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -43.64 92.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.61 -40.39 87.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -63.93 -37.77 88.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.7 mt -70.01 -30.2 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.418 HG23 ' CD1' ' A' ' 101' ' ' TYR . 7.2 mt -78.77 -44.91 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.6 m -59.28 -49.75 76.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.8 83.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.409 ' CZ ' HG11 ' A' ' 8' ' ' VAL . 37.4 t80 -57.99 -51.21 70.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -72.13 -28.34 63.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.0 tp -58.09 -31.49 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -105.47 -60.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.5 p -59.9 -46.29 89.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.61 24.59 49.69 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.583 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 mp -90.98 164.35 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.337 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.44 148.49 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.418 ' CD1' HG23 ' A' ' 90' ' ' ILE . 8.8 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.766 0.317 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . 0.418 ' CH2' HD21 ' A' ' 3' ' ' LEU . 12.3 m95 60.65 37.19 19.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.58 -55.53 3.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -60.16 -31.36 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.407 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 14.8 m -65.94 -40.19 91.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -60.58 -38.81 85.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.38 -55.18 14.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.24 73.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.5 -48.73 80.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -32.45 71.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -60.64 -39.21 87.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tt -67.9 -34.28 76.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.07 -41.78 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.6 -22.19 43.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.49 -20.81 26.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.209 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.98 -22.7 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.343 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -46.99 124.78 6.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.23 144.4 35.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.9 OUTLIER -65.34 -28.73 69.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.014 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.11 -63.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 26.8 m -57.02 -22.64 40.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t 43.93 65.18 1.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.985 0.421 . . . . 0.0 111.414 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -169.49 -179.17 3.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 34.9 mm -66.77 75.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.2 -179.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.52 127.09 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.763 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 32.8 tt0 55.19 53.69 9.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 58.0 Cg_endo -71.62 -176.02 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.497 2.131 . . . . 0.0 112.659 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.23 149.42 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.066 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 10.8 m -73.78 -26.96 60.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.401 ' CD2' ' CG2' ' B' ' 75' ' ' VAL . 1.7 tm? 80.88 -51.75 0.31 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.71 -83.37 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.568 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.06 36.8 3.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.396 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 53.0 t -133.41 109.11 9.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.371 . . . . 0.0 110.685 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.1 -25.02 4.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.405 ' O ' ' CE1' ' B' ' 70' ' ' PHE . 12.8 m80 -76.52 118.79 19.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.65 141.43 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -130.56 170.09 14.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.75 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 10.7 m -64.8 172.88 2.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.688 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.5 t -95.36 26.26 3.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -145.54 19.68 1.51 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 5.4 m -129.83 -45.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.153 0.501 . . . . 0.0 110.398 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.401 ' CG2' ' CD2' ' B' ' 63' ' ' LEU . 9.2 p -79.15 -29.37 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.96 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 24.4 p -51.55 -25.25 6.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.293 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.11 24.96 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -165.66 31.5 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.2 mm -82.42 -26.76 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.84 -27.46 36.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.638 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.9 m -108.18 -65.84 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.71 -116.18 0.73 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.42 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 40.0 t -124.39 112.53 27.86 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.54 0.21 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.66 -14.0 40.07 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.483 2.122 . . . . 0.0 112.475 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 12.9 t -80.58 -68.41 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.748 0.308 . . . . 0.0 111.252 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 31.2 p -77.86 -11.11 59.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.375 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 64.9 38.4 6.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 91.4 m -105.17 132.97 20.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.3 143.27 76.37 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.372 2.048 . . . . 0.0 112.254 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.01 120.93 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . 0.412 ' CZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -87.29 -24.67 24.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 pt -108.45 105.89 19.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.59 -41.15 89.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -94.66 151.99 18.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.34 79.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -68.14 160.22 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 27.0 mm -129.24 150.74 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -108.06 94.95 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 22.7 mtt-85 -58.62 -29.52 66.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.07 -59.84 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.6 -36.77 72.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.737 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -63.32 -50.32 70.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.603 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.3 t -61.92 -31.89 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.635 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 4.2 mtp -59.97 -37.0 78.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.732 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 10.1 mt -66.83 -45.89 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.19 -31.94 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.705 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.8 -48.66 79.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.45 -33.06 72.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.9 t -59.76 -39.95 86.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -61.97 -53.52 54.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.86 -36.25 76.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -59.56 -42.77 93.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.91 -34.21 44.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.22 -31.27 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 mt -69.63 -51.06 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -66.64 -74.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.745 0.307 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.1 m -54.38 -24.87 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.181 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 63.88 19.26 11.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.375 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.32 -28.62 69.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -177.07 47.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 t -68.24 -31.04 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.122 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.69 -50.9 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.57 -54.0 51.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.79 -31.15 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -72.03 -33.64 68.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.817 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -72.23 -39.33 68.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -59.79 -42.0 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.5 mt -68.14 -31.25 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.47 -41.77 60.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.98 -54.2 47.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.7 ptp -57.37 -32.06 66.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.39 -38.59 84.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -62.37 -30.6 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.9 mt -68.44 -29.32 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.44 HD13 ' CD2' ' A' ' 79' ' ' PHE . 3.5 mm? -111.87 32.66 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.31 -168.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.448 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 9.5 t -116.21 138.83 24.53 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.952 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -92.91 11.6 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.943 2.429 . . . . 0.0 113.951 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 pp -139.22 -53.72 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.6 -1.61 24.47 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 58.51 32.03 21.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.514 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 55.8 mt-10 -110.03 123.36 49.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.621 0.248 . . . . 0.0 110.885 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -36.57 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.466 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -53.53 113.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.578 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -39.26 13.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.721 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -102.41 89.24 1.63 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.681 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.03 102.09 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.506 2.137 . . . . 0.0 112.401 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 p -116.1 125.55 73.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.3 p -81.58 119.58 23.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.056 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.416 HG23 ' CD1' ' A' ' 43' ' ' PHE . 18.1 p -86.01 162.9 18.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.712 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -47.87 -27.4 2.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.542 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 t -94.04 25.3 3.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.215 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 53.59 46.16 26.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 111.211 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.427 ' CG ' HD12 ' A' ' 63' ' ' LEU . 33.8 m-70 -122.89 154.6 38.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.406 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 39.8 mm -98.1 149.84 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.379 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 28.3 m-85 -149.67 -176.82 5.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.707 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.3 m -100.33 22.66 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.84 -65.47 0.28 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.58 -30.15 60.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 m -57.96 -36.19 72.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.43 -40.84 97.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.33 -55.58 30.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -39.9 95.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.87 -35.97 82.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -78.91 -32.14 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -82.58 -31.0 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -59.6 109.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt 61.24 155.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 132.32 44.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.34 168.31 12.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.29 -173.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.605 2.204 . . . . 0.0 112.395 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -35.89 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 62.56 100.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 t -53.37 108.34 1.08 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.39 4.86 6.25 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.562 2.175 . . . . 0.0 112.919 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.427 HD12 ' CG ' ' A' ' 41' ' ' HIS . 2.1 mp -98.42 -34.03 10.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.714 0.292 . . . . 0.0 111.228 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.8 m -113.39 -81.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.101 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -177.56 63.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.987 0.422 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 64.86 134.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.72 39.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.565 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.9 mt -148.39 163.44 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.87 -58.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.93 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.053 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? -69.32 74.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -176.95 36.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.99 142.04 50.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -151.68 99.98 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.13 100.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.1 p -99.83 156.41 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -103.57 64.76 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -114.73 -44.66 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.725 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CD2' HD13 ' A' ' 22' ' ' LEU . 3.3 m-85 -104.68 31.43 4.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 p -86.32 -58.44 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.78 -31.25 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.75 -40.85 89.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.8 t -70.91 -51.57 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.01 -44.31 93.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -58.97 -38.63 79.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -39.56 83.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.83 -41.57 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -64.2 -32.42 73.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.4 mt -72.82 -42.11 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.419 HD12 ' CE2' ' A' ' 101' ' ' TYR . 31.2 mt -74.63 -42.21 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 36.6 m -60.39 -37.64 81.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.414 ' HB3' ' CD2' ' B' ' 36' ' ' HIS . . . -69.77 -36.95 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.3 -51.88 67.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -60.41 -31.17 70.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.77 -31.29 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -104.88 -69.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 32.2 p -65.83 -41.83 91.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 64.34 26.47 70.65 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.548 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.6 mt -82.11 152.38 26.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.744 0.307 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.2 132.89 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.419 ' CE2' HD12 ' A' ' 90' ' ' ILE . 3.2 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.885 0.374 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . . . . . . . . . 1.6 m95 61.5 38.24 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.16 -64.35 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -62.92 -31.47 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -69.35 -31.61 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.448 ' NH2' ' CE1' ' B' ' 116' ' ' HIS . 0.1 OUTLIER -66.32 -41.91 88.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -53.5 52.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.81 -32.38 70.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.074 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.9 -46.05 90.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -61.53 -34.88 76.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -60.08 -36.03 76.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.53 -41.42 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.69 -30.35 67.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.79 -22.0 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.57 -25.81 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.081 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.54 -28.77 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.199 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 122.19 8.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.052 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 43.9 t -58.95 156.39 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.45 ' CB ' ' CE2' ' B' ' 70' ' ' PHE . 0.4 OUTLIER -81.86 -36.44 28.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.419 ' HD3' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -94.37 -63.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.786 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.404 ' O ' ' CG2' ' B' ' 54' ' ' THR . 21.7 m -59.81 -19.42 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.222 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 4.7 t 44.32 67.21 0.71 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 111.431 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -177.5 -174.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 33.9 mm -67.96 127.58 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.009 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.85 172.27 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 119.17 10.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.741 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 3.6 tt0 57.56 53.34 6.09 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 60.8 Cg_endo -72.74 -168.38 0.4 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.625 2.217 . . . . 0.0 112.458 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 30.9 t -136.51 152.1 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 17.8 p -98.09 125.34 43.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.747 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -67.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.061 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -146.86 -99.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.38 49.22 0.86 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.3 p -122.75 -146.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -114.89 -30.68 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -59.9 123.9 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.16 147.77 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.002 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 1.3 m-85 -140.82 162.73 34.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 13.8 p -71.62 163.01 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.6 t -69.41 70.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -178.98 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 98.0 m -64.28 -46.95 81.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.7 -32.48 20.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.26 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 25.2 t -48.06 -28.49 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.341 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.29 -49.39 64.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 12.3 p -137.36 56.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.427 HG13 ' N ' ' B' ' 80' ' ' GLY . 0.6 OUTLIER -95.62 139.7 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.404 179.813 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . 0.427 ' N ' HG13 ' B' ' 79' ' ' ILE . . . 112.4 -29.65 8.14 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.809 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -75.24 -28.93 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.71 139.66 9.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.401 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 43.8 t -56.45 127.06 71.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.506 0.193 . . . . 0.0 111.047 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.05 -17.62 11.83 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.47 2.113 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.72 -66.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 31.8 p -76.4 -6.6 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.394 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 62.33 34.28 15.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 18.3 m -109.94 138.25 20.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -73.64 144.49 35.67 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.454 2.103 . . . . 0.0 112.372 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.56 95.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.99 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -57.23 -23.29 46.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.268 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 pt -102.01 93.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.15 -30.46 69.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -99.22 161.07 13.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.85 72.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -69.37 175.74 3.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 22.2 mm -132.66 158.88 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.188 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -113.57 84.94 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -30.47 66.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.033 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -69.01 -45.44 70.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.29 -32.41 68.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.827 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.44 -53.39 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -30.33 71.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -43.42 92.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 4.7 mt -62.64 -49.9 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -30.29 68.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.9 -51.18 42.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -31.4 69.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -65.65 -38.22 88.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -60.44 -50.28 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.95 -35.55 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -58.86 -42.85 90.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -73.96 -31.19 62.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.31 -44.74 51.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 mt -60.35 -50.6 72.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . 0.448 ' CE1' ' NH2' ' B' ' 38' ' ' ARG . 10.8 m-70 -80.31 -31.04 38.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 t0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.444 ' CD2' ' CZ2' ' B' ' 34' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.39 18.57 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.082 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.92 22.64 5.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.739 0.304 . . . . 0.0 111.416 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 pp -87.95 109.42 19.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 56.26 30.66 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.46 -30.78 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.98 -47.44 62.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -58.65 -55.93 28.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 t -58.92 -32.35 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.85 -44.09 97.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -71.91 -34.39 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.42 ' CG1' HD21 ' B' ' 107' ' ' LEU . 39.9 t -59.81 -58.64 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -55.56 -34.2 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -68.37 -35.56 77.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' CD2' ' B' ' 107' ' ' LEU . . . -70.66 -35.66 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.717 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.0 tpp -61.61 -35.72 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.31 -39.75 78.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.412 HD11 ' CD1' ' B' ' 107' ' ' LEU . 55.5 mt -59.08 -42.66 87.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 79' ' ' PHE . 1.2 mp -107.57 40.38 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -92.11 -178.27 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.427 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.8 t -99.27 139.58 21.05 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.436 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 62.4 Cg_endo -92.79 -12.53 1.58 Allowed 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.739 2.293 . . . . 0.0 114.602 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.504 HG13 ' N ' ' A' ' 27' ' ' CYS . 4.0 pt -129.39 -34.95 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.504 ' N ' HG13 ' A' ' 26' ' ' ILE . 21.4 m -98.63 -18.87 17.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.759 0.314 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.427 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 2.1 mm? 62.08 26.73 16.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.778 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.7 mm-40 -113.76 127.13 55.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.0 tp -38.91 101.82 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 111.428 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.4 pt -51.72 134.91 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.617 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.19 -38.24 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.634 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -114.53 81.77 7.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.521 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -48.59 137.2 26.4 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.753 2.302 . . . . 0.0 112.781 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.401 ' CG2' ' CD ' ' A' ' 45' ' ' LYS . 4.8 t -138.08 126.31 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.826 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 p -93.99 109.68 21.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.408 ' CG2' ' CD2' ' A' ' 43' ' ' PHE . 5.2 p -75.44 159.68 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HD3' ' CD1' ' B' ' 91' ' ' TRP . 11.4 mmtt -49.55 -26.37 3.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.468 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.7 m -92.63 21.79 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 t0 57.13 53.16 8.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.351 . . . . 0.0 111.18 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' A' ' 39' ' ' CYS . 89.2 m-70 -125.62 147.68 49.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.884 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.403 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 41.7 mm -94.87 152.02 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.066 0.46 . . . . 0.0 111.386 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CE1' ' HG2' ' A' ' 25' ' ' PRO . 71.7 m-85 -157.19 -177.73 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.8 p -116.48 31.72 6.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.795 0.331 . . . . 0.0 110.975 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 3.5 mmmm 69.18 -64.34 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.57 -29.16 2.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.95 -38.06 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.0 mmt -63.89 -31.27 72.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.5 mt -66.79 -58.62 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -64.56 -36.02 82.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tp -70.65 -31.29 68.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.7 mt -79.88 -41.97 25.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -93.42 1.64 56.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.404 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.787 0.327 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -88.73 -78.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -179.98 132.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.91 -155.87 35.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.59 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.68 153.54 5.48 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.663 2.242 . . . . 0.0 112.439 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.61 -169.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.782 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -152.09 99.1 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.004 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.6 t -46.57 104.86 0.43 Allowed Pre-proline 0 CA--C 1.53 0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.236 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.44 -3.69 14.24 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.456 2.104 . . . . 0.0 112.766 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.45 -25.66 17.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.727 0.298 . . . . 0.0 111.302 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 96.1 m -119.86 -81.94 0.64 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.081 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.9 61.62 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.965 0.412 . . . . 0.0 110.756 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 63.97 133.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.2 41.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.6 mt -140.16 159.41 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.263 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.71 -174.24 3.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -67.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.25 93.33 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -160.8 29.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.99 -178.27 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -140.04 86.14 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.46 101.52 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -126.39 166.17 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.7 m -93.22 80.97 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.6 mtm-85 -116.98 -59.05 2.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.423 ' CD2' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -98.96 30.61 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.13 -64.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -59.64 -30.0 68.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.42 ' CB ' ' CD2' ' A' ' 22' ' ' LEU . 15.2 mt -63.18 -36.87 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.3 t -71.18 -52.94 23.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.09 -39.47 75.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.48 -42.54 92.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.706 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.36 -47.2 69.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.79 -32.02 68.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -71.55 -34.2 69.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.1 mt -74.49 -43.01 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.972 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.409 HG22 ' CG ' ' A' ' 101' ' ' TYR . 4.8 mt -63.59 -39.63 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -45.52 92.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' HB2' ' CG ' ' B' ' 36' ' ' HIS . . . -59.71 -33.34 71.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.407 ' CE1' HG23 ' A' ' 97' ' ' THR . 17.5 t80 -59.23 -49.14 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -68.88 -27.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.12 -46.88 88.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.083 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -94.73 -65.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.182 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.453 ' HB ' ' CD2' ' A' ' 99' ' ' LEU . 1.8 p -64.97 -58.04 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.732 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.55 14.48 56.89 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.542 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.453 ' CD2' ' HB ' ' A' ' 97' ' ' THR . 3.1 mm? -79.18 151.69 31.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 117.066 0.433 . . . . 0.0 110.846 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.45 168.49 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.409 ' CG ' HG22 ' A' ' 90' ' ' ILE . 55.8 t80 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . 0.444 ' CZ2' ' CD2' ' A' ' 3' ' ' LEU . 19.5 m95 58.6 28.1 16.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.45 -53.99 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.42 ' CG ' ' HB2' ' A' ' 92' ' ' ALA . 1.5 p80 -62.48 -29.88 70.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.847 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.408 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 24.5 t -66.82 -39.02 87.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -49.41 77.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.811 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.11 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.003 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.37 -41.54 84.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.88 -46.49 87.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.54 -31.39 72.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -67.41 -43.89 80.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 tt -66.03 -37.01 84.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.65 -32.17 73.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -57.92 -26.92 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' B' ' 47' ' ' LEU . 6.7 mp -93.46 16.21 14.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.259 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -131.53 -39.6 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -44.55 111.76 0.34 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.301 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 50.6 t -54.48 154.69 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.61 -37.6 41.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -61.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' THR . 93.5 m -60.9 -19.56 60.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.59 45.01 7.7 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.855 0.359 . . . . 0.0 111.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -157.7 -168.01 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.402 ' CG2' ' CG2' ' B' ' 105' ' ' ILE . 34.5 mm -63.08 146.22 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.76 165.6 15.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.058 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.27 100.36 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.584 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 6.4 tt0 56.15 51.84 6.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 73.9 Cg_endo -75.35 175.4 11.32 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.62 2.213 . . . . 0.0 112.587 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.1 143.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.54 167.47 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.762 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.78 -51.83 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -59.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.96 42.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.421 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 p -120.9 30.64 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.006 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 61.96 19.3 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.16 124.39 50.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 15.5 mt -138.74 142.09 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 1.6 m-85 -147.33 178.1 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 21.9 m -59.73 173.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -42.56 99.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -95.67 19.42 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.234 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.63 -30.8 11.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -104.66 -36.74 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.338 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 37.6 t -41.42 -30.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.851 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -47.96 -44.03 29.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.876 0.37 . . . . 0.0 110.983 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 6.6 m -136.48 12.12 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.103 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.9 133.55 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.402 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.6 -26.51 10.09 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.0 t -94.61 -30.95 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.72 140.25 5.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.42 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.8 t -58.41 116.32 14.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.97 -2.36 12.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.436 2.091 . . . . 0.0 112.698 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 t -103.14 -24.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.774 0.321 . . . . 0.0 111.281 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.06 -19.91 13.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 65.99 49.07 1.66 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 89.9 m -132.58 139.31 34.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.08 149.41 58.45 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.436 2.091 . . . . 0.0 112.317 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.5 145.84 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . 0.408 ' CD1' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -128.15 18.35 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.7 pt -106.76 -37.82 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 70.54 -59.63 0.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.022 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.96 -176.46 5.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.61 72.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 140.79 51.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 25.1 mm -104.78 137.82 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -80.63 87.18 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.792 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -58.96 -30.58 68.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -71.93 -42.5 66.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.42 -34.7 76.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.33 -43.92 98.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.645 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.7 m -63.01 -33.43 75.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.787 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 5.8 mtp -57.86 -44.39 86.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.402 ' CG2' ' CG2' ' B' ' 56' ' ' ILE . 4.0 mt -59.28 -57.17 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.238 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -55.7 -47.57 76.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . 0.442 ' CD2' ' HB1' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -59.03 -43.87 91.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.4 t -58.49 -31.14 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.668 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -36.54 82.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.65 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -58.33 -52.47 65.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.788 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -35.58 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -58.5 -49.07 78.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -64.88 -42.27 94.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.37 -31.75 73.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.68 -37.95 89.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -127.93 106.9 9.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.867 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.417 HD21 ' CH2' ' B' ' 34' ' ' TRP . 1.2 tt . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.903 0.382 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -166.35 30.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 175.66 -34.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.331 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 pp -52.19 -38.54 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.337 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.409 ' O ' ' CZ2' ' B' ' 34' ' ' TRP . 2.7 mtt85 -171.88 48.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.416 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 18.7 t -104.8 -42.61 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -61.4 -36.95 81.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -67.49 -49.71 62.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.421 HG13 ' CE1' ' A' ' 93' ' ' PHE . 27.1 t -66.16 -38.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.12 -39.03 84.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -69.12 -32.6 72.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.9 t -68.26 -52.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.413 HG21 ' CE1' ' A' ' 101' ' ' TYR . 4.0 mt -58.2 -26.74 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.35 -36.63 68.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.46 -56.27 6.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.9 ptp -55.48 -28.4 54.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 3.7 tt0 -70.71 -38.25 73.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -62.98 -31.38 72.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.9 mt -64.21 -37.85 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' CD2' ' CE1' ' A' ' 79' ' ' PHE . 4.3 mt -98.77 30.35 3.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.94 -167.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -129.56 137.74 31.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.68 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.61 40.04 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.889 2.392 . . . . 0.0 114.315 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.432 HD13 ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -153.24 -38.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.388 179.134 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.51 -9.46 12.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.994 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 62.02 59.75 1.63 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.818 0.342 . . . . 0.0 110.602 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -155.54 173.12 17.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.165 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.66 -174.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 pt -139.29 94.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -60.35 -51.93 67.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -105.7 84.22 1.17 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.792 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.1 119.06 5.99 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.56 2.173 . . . . 0.0 112.319 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 p -125.04 121.32 60.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.7 p -75.21 115.08 14.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.41 HG22 ' CE1' ' A' ' 43' ' ' PHE . 10.2 p -80.39 164.08 23.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.75 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -28.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.572 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 3.6 m -94.77 26.08 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.25 44.95 29.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.214 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.43 ' CD2' ' HB3' ' A' ' 39' ' ' CYS . 80.3 m-70 -117.85 152.39 35.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.006 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 mm -100.53 137.58 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.258 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.432 ' CE2' HD13 ' A' ' 26' ' ' ILE . 15.7 m-85 -135.69 -179.54 5.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.65 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.8 m -97.3 26.41 4.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.971 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.38 -68.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.59 -29.03 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m -56.78 -30.48 63.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.14 -35.79 61.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.16 -44.74 94.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -39.31 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.23 -30.56 70.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mt -79.9 -30.7 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -89.34 -30.51 18.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -58.92 -31.25 68.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -121.54 142.7 49.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -60.05 130.09 45.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.04 -156.63 50.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -50.89 142.98 31.75 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.655 2.237 . . . . 0.0 112.33 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -175.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -132.59 108.15 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -56.91 109.57 1.8 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.14 -15.02 20.66 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.426 2.084 . . . . 0.0 112.717 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.415 HD22 ' CE1' ' A' ' 41' ' ' HIS . 4.8 mp -79.7 -29.17 40.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.189 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 m -137.21 20.0 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.296 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? 49.95 27.46 2.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.234 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -172.42 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -123.35 101.26 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mt -82.48 158.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.88 -176.71 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -82.4 -31.58 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -98.52 30.76 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -113.72 -33.54 5.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.66 153.18 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -141.54 89.11 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.58 101.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -168.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.5 m -131.85 75.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.53 -37.15 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.765 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.449 ' CE1' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m-85 -121.09 34.11 5.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.811 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -95.24 -59.75 1.82 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -57.58 -30.14 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -34.04 75.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.2 t -72.72 -53.05 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.89 -46.16 90.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.788 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -60.17 -32.55 71.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 19' ' ' GLN . 10.2 tp -64.77 -42.44 95.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 tp -58.78 -36.73 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.608 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -65.38 -32.68 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.503 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.9 mt -73.56 -32.82 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.778 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.3 mt -80.56 -30.35 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.011 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.63 -44.31 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.415 ' HB3' ' CG ' ' B' ' 36' ' ' HIS . . . -69.47 -37.18 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.421 ' CE1' HG13 ' A' ' 11' ' ' VAL . 58.9 t80 -58.91 -60.7 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -26.95 44.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -54.04 51.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -100.55 32.98 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.7 p -157.56 123.96 4.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.61 11.19 53.33 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.697 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' A' ' 99' ' ' LEU . 3.4 mp -88.8 -25.97 21.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.933 0.397 . . . . 0.0 110.827 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 53.74 173.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.446 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.413 ' CE1' HG21 ' A' ' 15' ' ' ILE . 4.3 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.849 0.357 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . 0.417 ' CH2' HD21 ' A' ' 3' ' ' LEU . 18.8 m95 60.81 31.69 20.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.27 -53.33 4.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.415 ' CG ' ' HB3' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -61.77 -31.22 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.0 m -75.64 -31.3 59.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -59.94 -46.07 90.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.76 -46.53 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.98 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.16 -51.5 69.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -35.02 74.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -58.96 -34.16 71.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 tt -78.15 -34.56 49.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.3 -27.94 66.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -31.74 62.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.13 -30.7 34.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.796 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.24 -21.69 31.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.87 114.84 7.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 49.9 t -59.55 156.98 12.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.73 -32.05 17.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.88 -63.34 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 61.1 m -67.28 -14.27 62.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.339 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.3 t 44.59 50.09 8.41 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.979 0.418 . . . . 0.0 111.383 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -149.61 -177.07 5.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.771 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.6 123.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.004 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.69 141.58 52.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.31 104.32 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.5 ' N ' ' HD3' ' B' ' 60' ' ' PRO . 0.4 OUTLIER 51.12 62.15 11.88 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.471 -179.333 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.5 ' HD3' ' N ' ' B' ' 59' ' ' GLU . 2.1 Cg_endo -82.76 -164.88 0.29 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.039 2.492 . . . . 0.0 112.641 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.426 ' CG1' ' HB ' ' B' ' 75' ' ' VAL . 7.7 p -156.94 158.7 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 20.6 p -83.45 133.96 34.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -36.3 75.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.18 -54.81 0.19 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.92 42.47 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.554 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.85 -52.49 2.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.693 0.282 . . . . 0.0 111.065 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 164.86 -29.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -64.57 141.51 58.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.407 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . 0.406 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 6.4 mt -151.04 134.58 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.439 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' B' ' 69' ' ' ILE . 3.8 m-85 -151.54 173.38 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.943 0.402 . . . . 0.0 111.145 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' B' ' 60' ' ' PRO . 10.0 p -65.57 159.8 23.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.734 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -50.96 -26.13 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.379 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.27 17.65 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.418 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 25.0 m -145.07 19.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.245 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.426 ' HB ' ' CG1' ' B' ' 61' ' ' VAL . 21.2 t -134.66 32.49 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.166 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 34.3 t -122.45 -35.99 3.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.216 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -57.88 118.41 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 111.115 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 3.2 m 61.76 30.48 18.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.9 mm -108.54 158.74 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.989 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.14 -26.41 24.72 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.953 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -105.53 -28.25 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 0.0 110.609 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.75 139.01 3.76 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.469 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.47 134.97 93.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.572 0.225 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.52 -22.05 6.97 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.669 2.246 . . . . 0.0 112.627 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.89 -67.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.293 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 13.8 m -71.38 -15.0 62.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.228 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 63.19 27.19 15.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.808 0.337 . . . . 0.0 110.752 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 87.8 m -102.95 123.17 43.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.33 142.92 45.52 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.465 2.11 . . . . 0.0 112.281 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.71 80.57 8.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -23.89 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.306 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -45.43 93.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.307 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.15 -63.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.03 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.81 172.54 10.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 tp -102.04 72.84 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.13 -173.65 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.733 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 17.8 mm -133.74 147.68 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 111.251 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -92.63 85.18 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.572 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -51.38 -28.84 13.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.357 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -70.06 -41.87 73.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.689 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 11.6 mt -72.67 -34.23 67.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.603 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.63 -59.39 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.766 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -29.59 67.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 28.4 tpp -64.46 -44.0 92.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 4.8 mt -56.59 -54.44 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -29.98 69.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.669 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -50.66 72.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -35.5 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 41.5 m -59.94 -33.71 72.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -46.06 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.88 -39.11 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -47.73 76.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -58.74 -31.37 68.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.9 mt -76.55 -30.48 57.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.96 -67.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -76.23 91.26 3.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.217 0.532 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.881 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.421 HD23 ' CE2' ' B' ' 34' ' ' TRP . 10.9 mp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m 66.6 11.52 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.504 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.42 23.71 3.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.588 0.232 . . . . 0.0 111.534 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -29.99 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.998 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -173.81 35.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.034 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.5 -51.69 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -60.17 -30.6 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -63.82 -60.71 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.27 -38.89 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -59.45 -39.12 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.89 -31.12 68.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -71.76 -49.11 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.5 mt -55.86 -33.23 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -63.23 -54.5 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.506 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.7 71.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 tpp -61.06 -34.64 75.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.568 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -71.03 -30.47 66.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.717 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -57.15 -38.3 73.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.9 mp -68.24 -37.97 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.658 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 HD12 ' CE2' ' A' ' 79' ' ' PHE . 3.8 mm? -98.68 31.47 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.69 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -95.87 -167.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.434 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 13.9 t -113.15 138.65 22.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.854 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -93.48 14.67 1.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.975 2.45 . . . . 0.0 114.191 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -141.66 -41.32 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.7 p -123.53 4.91 8.97 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.68 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.6 mm? 54.27 29.83 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.741 -0.208 . . . . 0.0 111.412 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 73.0 mm-40 -101.13 118.84 37.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.581 0.229 . . . . 0.0 110.732 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 tp -39.96 99.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.943 0.401 . . . . 0.0 111.299 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 31' ' ' ILE . 18.5 pt -52.17 129.54 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.539 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -104.48 -35.7 7.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.627 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.41 81.04 6.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.516 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -47.94 114.7 1.19 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.619 2.213 . . . . 0.0 112.701 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -117.24 121.93 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 14.1 p -86.34 119.99 27.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.408 HG21 ' CE1' ' A' ' 43' ' ' PHE . 3.2 p -88.27 154.06 20.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.679 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -52.6 -22.93 5.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.714 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.8 m -90.9 22.85 3.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.63 0.252 . . . . 0.0 111.413 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.54 62.8 2.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 111.285 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' A' ' 39' ' ' CYS . 93.3 m-70 -140.29 -175.77 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.6 mm -133.1 141.82 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.42 ' CD1' ' HE3' ' A' ' 48' ' ' MET . 33.0 m-85 -144.8 -177.82 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 m -99.63 25.76 6.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.97 -66.77 0.24 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.18 -29.3 65.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.5 m -57.88 -43.54 86.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.42 ' HE3' ' CD1' ' A' ' 43' ' ' PHE . 4.8 mmt -63.95 -33.07 74.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.58 -47.37 78.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -70.5 -34.53 72.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tp -63.3 -31.22 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mt -78.97 -30.86 44.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -89.88 -21.47 22.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.169 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -67.88 0.22 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -98.72 24.62 7.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp 60.23 156.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.99 -156.64 12.99 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.586 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.77 151.99 14.13 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.557 2.171 . . . . 0.0 112.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.83 174.82 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -128.93 113.75 15.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.4 t -59.34 110.22 2.54 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.45 -13.79 27.77 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.441 2.094 . . . . 0.0 112.755 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.422 ' CD2' ' ND1' ' A' ' 41' ' ' HIS . 6.7 mp -74.6 -32.84 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.156 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.0 p -142.47 24.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.198 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 50.77 30.93 5.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.379 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -79.32 -169.27 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.27 104.75 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.2 mt -88.74 158.46 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.78 -176.92 4.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.4 167.87 11.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.02 29.91 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -124.66 -40.7 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.38 148.78 22.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -149.76 118.12 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.95 145.33 41.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.6 t -149.4 150.16 31.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.3 m -94.49 -0.64 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.258 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -51.61 -60.1 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.727 0.299 . . . . 0.0 111.183 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.417 ' CE2' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -98.0 37.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.819 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.9 t -100.93 -63.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -56.53 -31.77 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mt -63.68 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.6 t -80.85 -43.55 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.029 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.31 -44.39 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.26 -44.87 88.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 tp -57.44 -48.06 80.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 mt -53.75 -30.38 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -76.01 -31.74 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.725 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.5 mt -66.25 -36.86 78.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.1 mt -72.28 -34.93 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.06 -49.94 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.408 ' HB3' ' CG ' ' B' ' 36' ' ' HIS . . . -59.75 -36.47 76.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CZ ' HG22 ' A' ' 97' ' ' THR . 40.4 t80 -57.36 -50.49 72.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -66.19 -28.02 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -39.58 79.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.47 -59.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.418 HG22 ' CZ ' ' A' ' 93' ' ' PHE . 12.6 p -59.17 -48.99 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.83 28.27 57.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.544 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.8 mt -105.14 156.11 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -63.12 -174.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 15.7 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . 0.421 ' CE2' HD23 ' A' ' 3' ' ' LEU . 21.2 m95 60.71 37.42 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.82 -51.93 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.408 ' CG ' ' HB3' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -59.79 -31.47 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.4 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 58.4 m -75.31 -31.43 60.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 13.3 ttp85 -60.26 -47.53 85.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.17 88.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.75 -37.04 73.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.13 -45.96 89.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.7 -33.81 76.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -60.86 -32.52 71.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 tt -74.68 -34.38 62.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.32 -24.4 66.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -54.3 -29.57 47.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.8 -27.09 17.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.94 -31.25 35.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -56.92 127.63 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -59.94 151.54 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.424 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -76.82 -29.39 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -57.74 2.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.409 ' O ' ' CG2' ' B' ' 54' ' ' THR . 23.7 m -65.43 -15.94 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.337 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 10.2 t 44.75 52.07 8.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.953 0.406 . . . . 0.0 111.349 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -170.42 -175.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.778 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 38.2 mm -60.1 136.26 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.419 ' CD1' ' CD1' ' B' ' 105' ' ' ILE . 0.2 OUTLIER -115.84 161.11 19.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -132.06 114.13 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.682 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 1.2 tt0 60.47 53.76 3.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 53.6 Cg_endo -69.4 -168.19 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.633 2.222 . . . . 0.0 112.503 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 15.2 t -135.0 141.73 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 22.2 p -84.26 122.32 28.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.407 ' CD2' ' CG2' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -59.98 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.55 -53.72 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.11 42.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 p -124.14 28.85 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 65.36 14.47 9.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.536 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.68 119.0 38.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.95 144.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -149.54 170.52 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.733 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 11.1 m -65.62 -175.56 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.4 23.72 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -149.06 20.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.185 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 5.0 m -134.0 -46.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.407 ' CG2' ' CD2' ' B' ' 63' ' ' LEU . 11.3 p -57.81 -28.36 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.279 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 29.2 t -63.49 80.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -150.97 -46.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 4.8 p -130.08 37.26 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.9 mm -77.83 141.46 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.24 -27.2 17.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.433 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.6 t -101.33 -31.19 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.99 140.3 7.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -55.29 115.81 10.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.558 0.218 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.1 -6.72 19.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.425 2.083 . . . . 0.0 112.565 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 23.1 t -98.69 -25.4 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 9.6 m -106.59 -24.38 12.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 65.87 42.73 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 78.8 m -133.33 142.14 43.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.03 145.91 39.85 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.513 2.142 . . . . 0.0 112.279 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.23 -27.25 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER 58.59 19.93 7.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.304 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 pt -158.93 127.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -91.22 -33.21 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.72 172.98 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.87 83.73 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -178.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 26.6 mm -128.99 157.01 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.26 94.11 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.796 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -69.55 -58.85 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -59.49 -46.05 89.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -49.12 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.811 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -62.5 -42.95 99.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.3 m -56.18 -32.16 64.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.696 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 11.3 mtp -74.2 -28.88 61.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.699 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.419 ' CD1' ' CD1' ' B' ' 57' ' ' LEU . 35.0 mm -59.01 -60.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -61.17 -37.1 81.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -56.68 19.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 50.0 t -56.93 -30.92 64.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -59.3 -38.5 80.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.651 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.43 -48.48 72.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.742 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.68 -39.38 84.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -57.27 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -59.97 -31.26 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 20.6 mt -71.65 -56.66 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.03 -32.79 71.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -85.11 -74.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.7 m -64.08 -23.31 67.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 63.65 19.92 11.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.299 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -71.64 -35.01 70.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -164.81 48.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 22.6 t -75.58 -31.12 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.24 -36.1 63.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -67.76 -42.92 81.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.67 -40.8 90.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HG3' ' CE2' ' A' ' 93' ' ' PHE . 18.9 mt-30 -61.26 -31.55 71.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.01 -41.02 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.98 -41.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.8 mt -69.58 -32.55 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -75.89 -33.27 59.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.87 -53.26 28.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 ptp -56.58 -36.5 69.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.23 -38.57 87.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.745 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -60.57 -31.74 70.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.68 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.3 mt -65.25 -27.42 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.431 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.7 mm? -105.42 32.49 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.692 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -90.53 -170.0 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.421 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 15.2 t -113.02 138.44 22.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.821 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -93.45 15.14 1.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 123.018 2.479 . . . . 0.0 114.142 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pp -141.02 -39.19 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.4 p -128.31 8.03 5.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.603 0.24 . . . . 0.0 111.64 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 52.57 28.25 5.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.646 0.26 . . . . 0.0 111.383 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 93.3 mt-10 -97.28 115.33 27.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.712 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 tp -38.5 98.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.05 0.453 . . . . 0.0 111.315 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.0 pt -50.75 136.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.585 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -113.06 -31.83 6.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -114.46 86.78 12.84 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.27 115.88 2.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.614 2.209 . . . . 0.0 112.39 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -129.53 119.2 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 p -78.02 126.16 30.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.424 HG21 ' CD1' ' A' ' 43' ' ' PHE . 8.2 p -92.31 162.69 14.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.488 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -48.53 -27.08 2.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.401 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 t -94.52 24.45 4.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 55.04 47.24 22.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.282 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.408 ' ND1' ' CD2' ' A' ' 63' ' ' LEU . 44.6 m-70 -124.98 153.69 42.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.9 mm -96.5 149.47 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.364 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.424 ' CD1' HG21 ' A' ' 37' ' ' THR . 15.6 m-85 -146.53 -177.26 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.683 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 m -99.85 20.44 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.73 -66.35 0.24 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.828 0.347 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -27.68 63.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.1 m -55.35 -40.07 70.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.6 mmt -66.14 -40.04 90.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.98 -43.62 91.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -85.04 -30.69 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -73.19 -38.47 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -30.47 64.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.709 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' LYS . 36.6 m-20 -88.97 -75.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.647 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.04 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' ASN . 6.6 mttt -177.03 -39.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.849 0.357 . . . . 0.0 110.795 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -165.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.92 -152.67 1.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.715 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HB3' ' CG2' ' A' ' 69' ' ' THR . 99.5 Cg_exo -43.4 151.26 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.021 2.481 . . . . 0.0 112.758 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.68 157.86 33.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -143.94 138.64 28.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -55.43 108.81 1.29 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.76 -4.77 15.97 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.436 2.09 . . . . 0.0 112.715 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.419 HD11 ' CE1' ' A' ' 43' ' ' PHE . 4.3 mp -85.24 -28.76 25.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.226 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.0 m -132.67 -82.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 pttp 170.49 41.55 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -96.27 -174.96 3.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -130.94 104.98 7.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.9 mt -99.88 135.71 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.726 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' A' ' 58' ' ' PRO . 16.7 p -152.17 62.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.091 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt 60.46 155.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 53.52 25.25 4.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.2 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -115.09 -32.5 5.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mp -84.42 171.16 12.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.17 89.63 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.784 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 132.11 51.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.24 -175.9 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.4 m -115.96 77.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -118.83 -54.81 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.431 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.6 m-85 -99.04 32.11 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.797 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.1 t -88.79 -61.51 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -59.62 -35.07 73.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.4 mt -57.79 -35.03 70.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.1 t -78.25 -54.8 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.66 -42.99 98.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -57.84 -44.57 86.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -41.3 66.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.07 -35.68 77.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -69.8 -37.85 76.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.0 mt -70.16 -42.99 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.412 HG12 ' CE2' ' A' ' 101' ' ' TYR . 15.0 mt -68.77 -30.72 48.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.997 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.0 m -69.01 -36.86 78.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.416 ' HB2' ' CD2' ' B' ' 36' ' ' HIS . . . -66.42 -37.66 85.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.415 ' CZ ' HG11 ' A' ' 8' ' ' VAL . 4.0 t80 -59.69 -55.95 27.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -28.96 67.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.76 -41.66 87.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.996 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -100.35 -68.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.3 p -60.31 -45.72 92.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.71 29.57 75.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.559 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.28 -178.57 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.55 140.98 29.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.412 ' CE2' HG12 ' A' ' 90' ' ' ILE . 15.8 t80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . . . . . . . . . 10.9 m95 61.32 30.21 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.16 -56.47 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.04 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.45 -30.68 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 41.3 t -67.53 -36.53 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -60.2 -58.04 10.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.23 68.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.64 80.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.26 -43.61 92.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.72 -39.94 90.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -59.56 -53.05 62.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.05 -36.58 75.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.47 -28.21 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -56.95 -31.19 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.89 -30.28 40.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.44 -22.82 24.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 114.74 1.6 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 45.0 t -59.96 156.75 13.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.417 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.4 OUTLIER -82.64 -34.47 27.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -57.41 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.402 ' O ' ' CG2' ' B' ' 54' ' ' THR . 66.9 m -65.27 -15.55 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.277 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.2 t 44.68 41.41 4.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.914 0.388 . . . . 0.0 111.332 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -163.33 -173.94 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -62.16 128.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.26 168.67 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.35 105.12 8.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.426 ' N ' ' HD3' ' B' ' 60' ' ' PRO . 9.9 tt0 56.89 63.63 5.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.003 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' B' ' 59' ' ' GLU . 26.6 Cg_exo -62.53 -161.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.585 2.19 . . . . 0.0 112.29 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 36.5 t -149.65 137.39 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 75.3 m -61.46 161.32 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.18 -65.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.28 -67.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -155.03 32.99 0.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.38 -146.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -117.9 -27.39 6.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.637 0.256 . . . . 0.0 111.308 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.404 ' CE1' HG12 ' B' ' 85' ' ' VAL . 32.7 m80 -56.05 127.0 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.376 . . . . 0.0 111.174 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 1.3 mp -127.7 155.05 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.3 OUTLIER -147.44 166.5 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 15.1 m -60.98 159.92 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -55.66 -26.08 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -112.73 22.52 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.3 m -124.49 -44.41 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.768 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 12.0 p -58.37 -30.82 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.5 p -63.12 80.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.67 -61.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 11.1 m -126.51 39.98 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.765 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mm -74.25 -26.69 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.98 -27.3 50.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.9 m -115.7 -66.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.69 -128.98 1.32 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.4 t -115.96 134.75 22.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.63 0.253 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.36 -21.02 9.28 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.592 2.195 . . . . 0.0 112.644 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.404 HG12 ' CE1' ' B' ' 68' ' ' HIS . 21.5 t -87.3 -68.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.332 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 55.5 m -71.23 -13.45 61.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.299 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 62.41 28.27 16.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.776 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -93.54 138.97 22.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.7 143.4 67.73 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.463 2.109 . . . . 0.0 112.224 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.77 85.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -59.17 -23.87 62.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 pt -104.43 107.3 22.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.98 -31.5 68.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.11 -176.21 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 52.9 mt -97.97 89.89 4.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -77.14 137.59 38.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 28.3 mm -86.8 141.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.221 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -96.67 94.7 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -58.46 -30.49 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -75.87 -55.58 5.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.53 -33.51 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.731 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.39 -53.48 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.636 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.9 m -61.61 -30.59 70.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.691 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 1.4 mtp -59.4 -38.6 80.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 6.9 mt -66.46 -50.84 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -60.28 -31.74 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.78 -53.13 55.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 32.8 m -59.52 -31.36 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.787 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 32.5 t -63.97 -35.17 79.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.774 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -64.72 -46.82 80.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.0 -35.72 73.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -60.03 -41.82 93.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -69.58 -42.11 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mt -66.1 -41.29 90.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.11 -31.22 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -134.64 110.53 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.942 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.0 tp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 t -175.87 37.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.67 -40.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.78 74.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 59.87 76.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.12 -42.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -64.76 -31.39 72.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.79 -48.26 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.74 -32.53 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -47.95 83.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.51 -31.74 70.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 t -70.79 -58.42 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.61 -31.45 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -71.55 -48.56 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.83 72.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.8 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.4 ttm -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.778 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.91 -40.33 88.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.77 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -59.72 -32.63 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.7 mt -67.53 -31.99 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.833 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' CD1' ' CD2' ' A' ' 79' ' ' PHE . 3.2 mm? -107.41 30.24 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.578 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.09 -166.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.047 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.426 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 14.2 t -112.92 138.69 22.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.942 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -93.3 16.15 1.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.882 2.388 . . . . 0.0 114.076 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.98 -39.26 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.3 p -128.21 9.05 6.14 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 51.08 29.05 4.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.652 0.263 . . . . 0.0 111.391 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 26.9 mm-40 -96.19 118.62 33.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.818 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.9 tp -39.14 98.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.004 0.43 . . . . 0.0 111.303 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 31' ' ' ILE . 1.2 pp -51.93 113.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.825 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -89.35 -43.42 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -101.62 90.87 1.96 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.528 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HG3' ' CA ' ' A' ' 80' ' ' SER . 27.8 Cg_endo -62.6 113.05 1.79 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.533 2.155 . . . . 0.0 112.564 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -127.47 159.02 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.64 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 p -110.39 127.78 55.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.093 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.425 HG23 ' CD1' ' A' ' 43' ' ' PHE . 19.7 p -92.31 158.09 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -52.42 -23.12 5.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.654 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.2 t -91.0 24.23 2.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 111.342 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 54.7 40.89 32.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.774 0.321 . . . . 0.0 111.037 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -122.98 -179.71 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.2 mm -120.64 147.54 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.492 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CD1' HG23 ' A' ' 37' ' ' THR . 28.7 m-85 -146.47 -177.45 5.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.65 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.7 m -100.05 24.87 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.043 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tpmp? 68.82 -66.23 0.25 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.416 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 1.5 t80 -58.75 -29.91 67.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.8 m -57.63 -33.96 68.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 mmt -67.47 -39.57 85.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.49 -53.95 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -60.99 -44.91 96.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -31.51 70.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.3 mt -73.77 -49.34 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -62.91 -41.13 99.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -60.23 148.31 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? 61.69 153.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 106.78 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.69 -179.0 17.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.17 176.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.593 2.195 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.98 158.98 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -114.31 114.26 25.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.7 t -56.16 109.28 1.56 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.02 -7.82 22.26 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.492 2.128 . . . . 0.0 112.713 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 mp -84.55 -28.46 26.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.697 0.284 . . . . 0.0 111.212 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.8 m -145.87 25.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt 50.38 27.31 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.222 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -167.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -135.72 108.02 7.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 mp -95.61 157.87 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.46 145.61 45.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.76 83.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -179.84 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -96.3 37.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.48 110.99 21.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -119.04 113.47 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -62.93 101.17 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.3 m -95.56 124.7 39.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.8 m -83.65 58.22 4.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.9 ptt-85 -112.0 -30.64 7.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 2.5 m-85 -106.82 28.66 7.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.401 ' CA ' ' HG3' ' A' ' 34' ' ' PRO . 10.0 t -89.22 -62.46 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -58.05 -31.23 66.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.789 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.96 -56.49 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.3 t -59.39 -52.02 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -60.9 -35.54 76.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.65 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.42 -43.18 88.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.47 -44.08 84.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.574 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.84 -30.11 65.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -84.03 -44.2 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.9 mt -63.15 -38.36 81.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.421 HG12 ' CZ ' ' A' ' 101' ' ' TYR . 8.2 mt -72.86 -40.51 60.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.024 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.6 -42.51 96.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.2 91.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.088 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.404 ' CD1' HG21 ' A' ' 97' ' ' THR . 65.1 t80 -59.45 -51.82 68.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.89 -30.04 69.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.988 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 mt -59.16 -31.67 69.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -110.13 -68.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.404 HG21 ' CD1' ' A' ' 93' ' ' PHE . 17.4 p -60.23 -40.23 89.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.18 28.16 73.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 mp -92.86 163.27 13.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.17 166.79 9.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.421 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 29.6 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.87 0.367 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . . . . . . . . . 20.5 m95 60.57 36.19 19.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.64 -55.93 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -30.82 69.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 32.5 t -67.73 -39.67 84.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ttm105 -62.16 -34.42 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.55 -55.41 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.8 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.77 -56.01 27.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.62 -33.99 72.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 61.3 mtt-85 -59.21 -40.8 86.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 tt -72.04 -31.2 65.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -62.81 -28.44 70.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.02 -30.48 59.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.05 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.98 -29.98 39.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.32 -28.45 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.8 121.11 8.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 47.0 t -65.51 156.87 31.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.4 m -77.5 -34.14 54.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.79 -57.48 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.416 ' O ' ' CG2' ' B' ' 54' ' ' THR . 8.6 m -60.57 -19.1 56.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.7 t 45.03 54.32 7.03 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.987 0.422 . . . . 0.0 111.392 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -177.96 -173.53 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.681 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.58 143.83 12.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.8 152.95 41.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.04 124.55 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.657 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.427 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 5.0 tt0 54.07 52.51 9.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.665 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 72.9 Cg_endo -75.78 -178.92 4.67 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.653 2.236 . . . . 0.0 112.603 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 28.3 t -131.01 145.58 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.792 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 14.9 m -57.97 -97.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 75.53 -53.5 0.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.91 0.386 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.41 71.08 1.57 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.65 -36.89 40.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.307 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.93 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.524 0.202 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -157.24 23.67 0.3 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.68 0.276 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.42 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 14.5 m170 -116.63 158.94 22.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 111.104 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 mt -148.11 147.95 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.806 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -143.35 175.99 9.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 11.8 m -74.33 -177.05 2.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -38.12 68.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.6 19.11 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.244 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.82 -51.88 4.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.988 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.427 ' CG2' ' CD1' ' B' ' 79' ' ' ILE . 27.5 m -81.83 -27.65 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.356 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 69.0 m -46.87 -28.19 1.5 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.367 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -55.34 -27.27 46.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.21 82.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.427 ' CD1' ' CG2' ' B' ' 75' ' ' VAL . 33.1 mm -76.61 -34.35 23.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.47 -24.8 25.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.39 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 75.7 m -83.36 -75.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.715 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.97 -113.54 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.399 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.8 t -108.08 134.43 20.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.553 0.216 . . . . 0.0 110.839 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -78.45 -12.24 15.51 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.55 2.166 . . . . 0.0 112.926 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.42 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 19.8 t -107.78 -67.71 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.891 0.377 . . . . 0.0 111.363 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 87.6 m -64.77 -15.33 61.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.238 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 64.86 19.79 11.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 90.2 m -83.61 139.66 41.03 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.739 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.48 144.89 62.85 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.457 2.104 . . . . 0.0 112.183 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.49 97.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -23.1 50.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 pt -108.78 110.09 30.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.1 -31.71 69.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.84 -170.61 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 tp -105.8 86.22 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.21 171.82 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 25.8 mm -129.95 139.09 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.195 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -93.88 83.35 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.766 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.07 -30.46 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -74.61 -51.94 13.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.56 -34.34 72.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.99 -44.42 96.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.733 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 15.9 t -58.15 -32.8 68.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.651 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 6.7 mtp -67.88 -33.37 74.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.702 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 20.6 mm -60.17 -48.45 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.764 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -31.12 61.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.93 -51.6 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -32.16 70.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 6.2 t -69.37 -31.46 69.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -63.93 -46.75 83.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.2 -41.96 89.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.28 -41.12 92.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -72.15 -41.82 66.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.3 -33.6 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.26 -34.42 55.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.26 -74.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.444 ' CD2' ' CH2' ' B' ' 34' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.861 0.363 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 m 61.56 17.86 8.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.243 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.58 22.29 5.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.473 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 pp -82.19 106.4 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 48.76 28.98 2.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.289 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.21 -30.61 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.121 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -31.55 64.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.27 -42.5 96.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.42 HG13 ' CE1' ' A' ' 93' ' ' PHE . 21.5 t -60.74 -38.4 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -40.08 86.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.21 -40.83 91.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 t -70.39 -41.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.406 HG21 ' CE1' ' A' ' 101' ' ' TYR . 10.5 mt -67.59 -31.9 54.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.86 -52.57 19.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.19 80.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.9 ttm -58.37 -42.87 87.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -63.36 -36.64 84.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -60.17 -40.72 90.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mt -63.52 -29.79 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.872 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.458 ' CD2' ' CE1' ' A' ' 79' ' ' PHE . 4.2 mt -110.44 30.39 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.592 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -92.59 -165.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 11.3 t -111.37 138.49 21.38 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -93.04 12.94 1.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.909 2.406 . . . . 0.0 114.044 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -141.4 -53.64 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.16 -1.66 25.2 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 57.5 33.05 22.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.473 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 14.6 mm-40 -109.66 126.38 53.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.621 0.248 . . . . 0.0 110.727 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.4 tp -40.05 98.03 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.027 0.441 . . . . 0.0 111.248 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.5 pt -47.8 137.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.778 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.87 -38.13 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.623 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -114.09 81.25 6.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.551 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.14 101.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.695 2.263 . . . . 0.0 112.732 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.1 120.85 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.762 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 t -89.06 108.4 19.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.12 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.418 HG21 ' CE1' ' A' ' 43' ' ' PHE . 63.6 p -78.88 162.72 25.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -47.12 -28.15 1.67 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.931 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.6 m -91.43 21.21 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 111.421 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 t70 56.2 54.65 7.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.824 0.345 . . . . 0.0 111.307 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.453 ' CD2' ' HB3' ' A' ' 39' ' ' CYS . 92.5 m-70 -126.8 142.15 51.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.408 HG13 ' CD2' ' A' ' 79' ' ' PHE . 38.5 mm -91.58 129.83 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.333 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' CE1' HG21 ' A' ' 37' ' ' THR . 25.5 m-85 -128.19 -176.62 3.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.17 23.78 12.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.943 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tptm 69.3 -65.58 0.29 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.094 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CD2' ' HE2' ' A' ' 50' ' ' LYS . 15.6 t80 -58.19 -28.69 65.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.7 m -56.92 -39.81 75.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.058 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.8 mmm -67.42 -33.2 74.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.9 mp -63.89 -53.77 45.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.709 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HE2' ' CD2' ' A' ' 46' ' ' PHE . 43.6 mtmt -66.85 -37.52 84.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.757 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 tp -60.98 -37.25 81.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.7 mt -80.08 -31.27 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.776 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -60.41 -53.43 57.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -75.9 63.88 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.78 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 tptt 179.57 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.968 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.88 19.55 10.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.079 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.24 -163.64 13.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.05 130.51 35.24 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.48 2.12 . . . . 0.0 112.283 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.77 170.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.22 103.26 5.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.1 t -47.2 108.99 0.96 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.441 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.9 -3.92 14.49 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.369 2.046 . . . . 0.0 112.407 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.427 ' CD2' ' ND1' ' A' ' 41' ' ' HIS . 1.8 mp -83.28 -34.81 25.68 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.089 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 p -116.74 -54.87 2.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.984 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 pttp 172.63 -35.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.031 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 166.96 137.5 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.4 41.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.941 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.4 mt -144.27 153.6 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.077 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 p -127.58 -178.42 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -60.1 -32.2 70.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -135.91 91.51 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 m -163.56 31.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 mt -91.48 172.01 8.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -135.08 85.96 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.25 103.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.57 -175.98 4.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 78.5 m -151.9 79.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -117.89 -43.65 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.458 ' CE1' ' CD2' ' A' ' 22' ' ' LEU . 5.3 m-85 -86.04 -11.28 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.372 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.97 -51.4 66.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.831 0.348 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -65.46 -31.42 72.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 79' ' ' PHE . 2.2 mt -73.98 -32.75 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.0 t -77.01 -39.03 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -73.66 -47.74 37.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -58.11 -40.68 81.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.0 tp -58.5 -45.42 88.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.0 mt -55.97 -32.68 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.729 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -72.22 -34.15 68.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.706 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 56.2 mt -67.29 -36.6 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.421 HG12 ' CZ ' ' A' ' 101' ' ' TYR . 4.7 mt -71.21 -43.13 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 89.7 m -60.11 -44.62 94.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.84 74.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.42 ' CE1' HG13 ' A' ' 11' ' ' VAL . 6.8 t80 -59.65 -53.73 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.57 -29.81 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.96 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -44.78 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -95.71 -68.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.3 p -61.99 -55.87 24.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.72 27.28 32.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.545 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.8 mp -87.54 162.46 17.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.17 160.5 29.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.421 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 29.2 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.881 0.372 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . 0.444 ' CH2' ' CD2' ' A' ' 3' ' ' LEU . 17.7 m95 60.13 31.63 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.86 -64.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.404 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -61.31 -31.05 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.404 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 0.3 OUTLIER -63.58 -31.42 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -72.36 -41.66 66.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.52 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.71 -38.15 62.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.2 tp -59.96 -53.13 61.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.04 -32.96 71.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -60.28 -33.54 72.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.94 -34.56 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.93 -36.53 74.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -27.02 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.89 -23.57 28.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -96.32 -24.96 15.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.223 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 120.75 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 111.023 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 40.8 t -57.8 156.31 8.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.42 ' HB3' ' CE2' ' B' ' 70' ' ' PHE . 9.4 t -82.78 -31.41 28.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -100.67 -60.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 70.7 m -61.14 -19.15 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.194 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 10.2 t 44.8 52.05 8.13 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.966 0.413 . . . . 0.0 111.366 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -156.17 -176.17 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.0 mm -64.54 123.94 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.19 152.05 21.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -154.73 100.95 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.0 tt0 55.71 52.19 7.3 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 65.7 Cg_endo -73.89 -173.82 1.52 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.613 2.209 . . . . 0.0 112.657 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 22.1 t -137.66 146.29 27.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.038 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 8.4 t -85.17 114.03 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.18 -54.8 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -108.77 0.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.538 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.6 34.48 1.7 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 2.7 p -117.02 30.28 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 65.59 14.07 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.435 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 123.34 33.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 110.798 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 8.4 mt -140.66 128.73 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.441 ' CD1' ' CG1' ' B' ' 75' ' ' VAL . 3.3 m-85 -148.25 173.6 12.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 20.8 m -59.33 -176.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.8 p -94.69 26.1 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -148.9 20.02 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.192 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 m -116.12 -64.79 1.26 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.474 ' HB ' HD13 ' B' ' 79' ' ' ILE . 32.7 m -61.37 -23.55 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.581 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.9 t -46.24 -25.34 0.6 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.812 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -87.81 22.84 2.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.706 0.288 . . . . 0.0 111.297 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.91 38.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.988 0.423 . . . . 0.0 110.34 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.474 HD13 ' HB ' ' B' ' 75' ' ' VAL . 1.5 mm -120.47 157.09 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.861 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.72 25.77 40.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.173 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.4 m -162.2 -44.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.81 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.34 138.03 3.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.414 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.71 114.27 28.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.622 0.248 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.01 -1.25 11.43 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.445 2.097 . . . . 0.0 112.641 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.34 -28.34 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.798 0.332 . . . . 0.0 111.195 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 57.3 m -106.18 -19.24 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 67.07 49.7 1.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 73.7 m -140.1 140.04 22.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.11 162.77 3.79 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.421 2.081 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.0 84.6 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.81 -25.92 61.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.56 85.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -59.57 -31.36 69.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -115.79 157.24 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.5 75.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -60.86 175.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 25.0 mm -130.73 139.26 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.203 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.18 94.82 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.784 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -58.93 -30.85 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.46 -47.38 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.414 HD21 ' CZ ' ' A' ' 79' ' ' PHE . 2.7 mm? -61.06 -46.79 89.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.644 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -60.76 -46.37 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 6.8 t -59.92 -34.28 73.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 1.4 mtp -62.72 -32.4 73.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.644 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 27.2 mm -65.28 -51.42 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.964 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -64.08 -31.21 72.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.54 -51.95 56.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 51.9 t -61.87 -30.02 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 31.0 t -59.15 -47.01 86.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -59.94 -49.78 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tp -57.6 -36.34 71.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -65.96 -45.8 80.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -70.74 -39.26 73.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.09 -43.8 95.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.01 -38.12 84.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -60.01 -72.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.788 0.328 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.55 15.66 8.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.292 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 54.18 21.33 3.0 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.455 ' CD1' ' CZ2' ' B' ' 34' ' ' TRP . 1.9 pp -74.05 99.61 3.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.896 0.379 . . . . 0.0 110.285 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' GLU . 19.4 mtt180 63.7 -84.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.327 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.7 t 61.09 -73.83 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.511 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ARG . 2.7 pt-20 -46.49 -29.8 1.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.323 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.5 -58.32 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.417 HG23 ' CZ3' ' B' ' 34' ' ' TRP . 23.8 t -58.36 -41.22 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -43.38 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -59.99 -35.95 76.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.76 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.0 t -66.89 -28.41 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.2 mm -72.41 -31.28 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.007 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -74.43 -50.34 18.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.74 89.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.1 tpp -64.45 -43.26 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -64.25 -40.64 96.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.018 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -55.96 -28.38 56.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mt -67.55 -29.24 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 82' ' ' LEU . 10.5 mp -115.25 28.2 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.65 -168.29 2.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.756 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.434 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 10.2 t -115.03 134.45 22.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -93.12 10.37 2.24 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.883 2.389 . . . . 0.0 114.114 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.2 pp -132.47 -38.86 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.34 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.3 p -128.09 4.47 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.594 0.235 . . . . 0.0 111.633 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 53.79 31.03 12.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.515 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -102.2 120.78 41.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.836 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 tp -37.82 101.56 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.29 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 31' ' ' ILE . 1.1 pp -53.84 108.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.904 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.61 -37.25 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.489 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -111.72 94.19 22.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.466 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.72 111.2 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.439 2.092 . . . . 0.0 112.31 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.0 t -117.42 123.23 71.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.993 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 p -87.79 104.07 16.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.4 p -70.38 162.55 28.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HG3' ' CH2' ' B' ' 91' ' ' TRP . 7.5 ttpt -47.45 -26.38 1.34 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.699 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.7 t -91.55 23.63 3.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.399 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.2 t70 55.11 36.78 27.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.363 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.429 ' CE1' HD22 ' A' ' 63' ' ' LEU . 37.8 m-70 -114.07 149.43 35.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.028 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mm -88.6 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.283 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -151.44 -177.28 5.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.776 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.7 m -100.7 22.95 11.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttm 68.01 -67.9 0.18 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.6 -26.7 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.7 m -54.46 -29.12 48.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.3 mmt -69.12 -38.03 78.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.95 -42.56 99.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -74.22 -33.22 63.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.8 tp -75.31 -52.57 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.88 -31.35 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -82.22 -32.59 29.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -62.24 121.35 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm 60.13 -177.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.19 161.63 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.28 -176.86 52.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -51.64 -178.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.633 2.222 . . . . 0.0 112.3 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.83 -31.42 28.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 62.2 117.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.5 t -68.58 114.81 24.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.65 -7.13 20.3 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.413 2.076 . . . . 0.0 112.582 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.429 HD22 ' CE1' ' A' ' 41' ' ' HIS . 5.3 mp -78.16 -30.65 49.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.062 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 11.1 p -151.36 25.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.238 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.76 34.45 21.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -75.04 -167.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -128.0 103.6 7.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.0 mt -107.71 139.72 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 p -137.15 160.86 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -59.9 161.7 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.0 46.87 7.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -143.93 -62.01 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.92 167.77 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -157.18 164.17 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.56 100.99 13.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.8 p -113.71 115.59 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.3 m -67.84 74.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -112.93 -35.83 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.783 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.41 ' CD1' HD11 ' A' ' 82' ' ' LEU . 7.2 m-85 -127.9 46.49 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.695 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.5 p -97.26 -71.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.28 -20.94 58.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.438 ' HB2' HD22 ' A' ' 22' ' ' LEU . 4.3 mt -73.23 -30.5 63.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.762 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 t -79.4 -40.33 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.96 -46.08 72.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -37.7 80.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.714 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -45.0 84.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.748 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.2 -35.78 76.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -68.13 -39.51 82.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.3 mt -63.87 -40.97 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.415 HG23 ' CD1' ' A' ' 101' ' ' TYR . 5.4 mt -67.26 -39.24 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.2 m -60.17 -39.61 87.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.71 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.87 90.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.88 -27.28 66.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -85.79 -26.51 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.74 -67.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -88.13 -62.43 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -41.67 73.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 57.47 27.22 58.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.766 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.33 -177.47 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.346 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.69 133.38 42.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.415 ' CD1' HG23 ' A' ' 90' ' ' ILE . 70.9 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . 0.455 ' CZ2' ' CD1' ' A' ' 6' ' ' LEU . 1.8 m95 59.47 44.41 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.49 -69.32 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.409 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -68.2 -31.34 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.409 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 1.5 m -73.83 -34.55 64.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -60.11 -46.72 88.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.95 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.85 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.056 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.41 -42.92 92.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.14 -31.3 69.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -61.82 -53.61 53.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.33 -31.1 70.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -59.67 -37.83 79.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -30.69 66.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.88 -32.7 63.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.64 -20.48 46.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 123.5 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -59.83 155.3 16.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -33.73 60.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.449 ' NH1' ' CE1' ' B' ' 70' ' ' PHE . 10.5 mpt_? -102.16 -59.32 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' THR . 72.7 m -60.83 -19.45 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.2 t 44.6 47.27 8.54 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.867 0.365 . . . . 0.0 111.288 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -151.59 -175.69 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 37.7 mm -60.66 120.28 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.79 158.1 8.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 101.35 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.649 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.3 tt0 54.05 51.76 8.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.637 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 74.0 Cg_endo -75.4 -168.53 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.562 2.174 . . . . 0.0 112.62 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 22.8 t -151.7 140.01 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 23.6 m -58.37 -168.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.704 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.435 HD22 HG23 ' B' ' 75' ' ' VAL . 0.2 OUTLIER -120.41 -68.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.061 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.41 -109.37 0.23 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.635 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.46 29.35 7.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 21.1 p -116.21 -145.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -135.09 43.34 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 110.975 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.421 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 19.9 m170 -123.64 146.73 47.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 9.0 mt -148.78 141.81 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.916 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CE1' ' NH1' ' B' ' 52' ' ' ARG . 1.1 m-85 -150.51 160.44 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -59.02 162.01 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p -57.8 -21.27 41.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.283 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -99.34 20.43 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.486 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 m -142.85 -53.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.435 HG23 HD22 ' B' ' 63' ' ' LEU . 14.8 p -59.97 -39.33 79.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.29 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 10.3 t -55.59 -21.82 19.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.355 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -49.96 -26.82 4.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.41 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 50.4 m -153.25 76.68 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 111.324 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 43.6 mm -125.61 158.16 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.001 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.32 25.45 63.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.341 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 82.1 m -158.72 -45.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.94 139.27 3.68 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.537 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.4 t -57.51 134.82 82.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.644 0.259 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.43 -22.07 9.74 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.513 2.142 . . . . 0.0 112.66 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 13.3 t -89.1 -28.99 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.292 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 20.6 m -98.85 -23.1 15.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 62.47 37.62 13.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 3.9 m -119.63 135.85 24.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.29 142.97 55.16 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.468 2.112 . . . . 0.0 112.255 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.14 90.22 4.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . 0.42 ' CH2' ' HG3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -58.54 -25.27 62.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 pt -99.85 88.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.178 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -29.09 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -106.91 142.82 35.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.776 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.81 80.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -71.29 139.67 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.802 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 35.0 mt -104.12 135.25 42.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.313 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -97.86 92.42 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.651 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -28.96 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.34 -51.94 63.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.1 -48.51 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.752 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -65.27 -47.22 77.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.786 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 35.4 t -55.38 -31.16 61.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.707 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 17.9 ttm -71.38 -33.2 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.691 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 45.1 mt -57.84 -48.84 82.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.72 -39.76 89.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.478 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -45.82 87.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.606 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.32 -36.78 71.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.582 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -34.48 77.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.445 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -58.64 -51.88 68.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.666 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -34.91 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.765 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -59.72 -44.59 93.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -75.48 -33.01 60.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.7 mp -72.32 -31.64 65.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.421 ' HA ' ' CG ' ' B' ' 34' ' ' TRP . 6.3 mt -74.17 -31.58 62.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -69.46 -74.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.899 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 55.05 21.7 3.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.42 22.9 3.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.702 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pp -87.39 83.99 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 55.56 79.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.51 -44.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -50.61 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -28.27 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.418 HG22 ' CZ3' ' B' ' 34' ' ' TRP . 34.9 t -69.65 -30.72 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -71.87 -36.2 70.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -64.55 -40.02 94.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 t -59.41 -56.17 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.42 HG23 ' CZ ' ' A' ' 101' ' ' TYR . 3.8 mt -56.66 -29.8 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.201 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -63.0 -58.39 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.688 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.64 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.785 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.4 tpp -64.61 -35.36 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -68.13 -32.81 73.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -59.53 -40.43 87.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.723 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.1 -31.39 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 79' ' ' PHE . 3.9 mm? -107.17 31.03 5.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -99.17 -170.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.38 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.4 t -111.5 141.47 24.59 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.704 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.425 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 68.7 Cg_endo -93.25 -9.42 2.04 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.825 2.35 . . . . 0.0 114.638 -178.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 27' ' ' CYS . 2.1 pt -131.62 -32.62 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.44 ' N ' HG13 ' A' ' 26' ' ' ILE . 9.9 m -105.81 -13.51 15.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.665 0.269 . . . . 0.0 111.453 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 3.4 mm? 59.3 27.46 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.829 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 9.6 pt-20 -113.05 126.85 55.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 tp -38.33 100.82 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.446 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.7 pt -50.71 141.43 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.748 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.19 -39.86 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.705 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -110.46 93.48 16.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.607 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -48.33 120.94 5.54 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.575 2.183 . . . . 0.0 112.779 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.4 t -127.36 123.82 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.49 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 14.3 p -105.51 130.76 53.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.926 0.393 . . . . 0.0 111.576 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 p -96.5 163.72 12.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.514 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HG2' ' CZ2' ' B' ' 91' ' ' TRP . 4.6 mttp -47.18 -26.17 1.09 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.098 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.79 10.02 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.2 t70 63.58 44.93 4.92 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.027 0.442 . . . . 0.0 110.478 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.471 ' O ' ' HA ' ' A' ' 36' ' ' SER . 26.7 m170 -108.17 -173.63 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.999 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.4 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 25.8 mm -133.22 154.07 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.27 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CE2' ' HG2' ' A' ' 25' ' ' PRO . 63.3 m-85 -153.37 174.28 14.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.8 p -97.79 27.7 4.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.87 144.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.4 t80 74.7 4.13 4.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.504 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.2 m -76.97 -32.82 57.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.981 0.419 . . . . 0.0 110.585 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.419 ' HE2' ' CD1' ' A' ' 43' ' ' PHE . 12.4 mmt -65.84 -42.6 90.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.509 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.32 -45.76 92.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.537 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -76.15 -31.9 58.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.73 -31.14 64.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.54 -35.71 16.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -73.76 -34.63 64.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -58.73 -31.23 68.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -97.66 -176.82 3.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 18.06 19.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.95 -154.54 9.07 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.617 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -47.53 144.68 9.99 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.806 2.338 . . . . 0.0 112.576 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -171.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.769 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -165.33 104.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 45.9 t -45.38 104.29 0.39 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.57 -12.03 34.13 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.452 2.101 . . . . 0.0 112.566 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . 5.6 mp -79.16 -30.57 43.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.6 m -118.69 -61.27 1.67 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.77 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 pttp 172.54 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 173.35 137.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 169.35 39.07 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.4 mt -151.94 143.59 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.99 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.5 p -148.62 36.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm 59.28 162.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 59.42 71.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -172.04 -56.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -178.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -173.06 138.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.793 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.03 101.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -101.8 169.98 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.1 m -110.7 72.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.76 -64.28 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' A' ' 22' ' ' LEU . 3.4 m-85 -97.52 37.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.55 -69.8 0.66 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -63.32 -28.01 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.32 -30.98 68.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.865 0.364 . . . . 0.0 110.632 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.51 -52.77 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.939 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.04 -37.72 88.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.798 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -59.05 -47.83 83.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.815 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.3 tp -58.62 -47.08 85.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -54.14 -30.32 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -75.84 -31.16 59.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.9 mt -69.02 -31.68 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.43 ' CD1' ' CE2' ' A' ' 101' ' ' TYR . 4.5 mt -78.39 -39.65 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.83 -50.9 72.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' HB3' ' CG ' ' B' ' 36' ' ' HIS . . . -59.51 -47.9 83.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.404 ' CZ ' HG21 ' A' ' 97' ' ' THR . 2.9 t80 -59.55 -47.38 85.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.33 -30.69 69.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -47.83 84.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.4 -66.64 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 16.4 p -66.44 -54.1 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.77 28.36 73.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.55 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.17 167.08 21.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.13 144.07 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.43 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 15.0 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.775 0.322 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . 0.418 ' CZ3' HG22 ' A' ' 11' ' ' VAL . 72.0 t-105 60.34 92.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -174.17 -41.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.37 -29.45 66.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -74.16 -31.61 62.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -53.03 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.32 87.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.97 -32.69 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.06 -45.76 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -65.86 -32.49 74.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.784 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -60.51 -31.47 70.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tt -75.46 -40.15 57.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -59.98 -25.29 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -32.24 56.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.06 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mp -95.22 17.71 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.1 -40.87 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.062 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.13 105.62 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.864 0.364 . . . . 0.0 110.988 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 41.1 t -51.02 153.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.274 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -85.97 -31.29 22.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.451 ' CD ' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -88.12 -58.61 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.404 ' O ' ' CG2' ' B' ' 54' ' ' THR . 91.1 m -68.41 -13.15 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.392 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.5 t 44.62 50.51 8.38 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.991 0.424 . . . . 0.0 111.321 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -169.12 -165.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.762 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 40.3 mm -57.52 158.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.27 164.36 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -169.28 113.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.486 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 4.7 tt0 47.73 51.02 9.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 73.6 Cg_endo -76.78 177.49 8.79 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.644 2.229 . . . . 0.0 112.689 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 38.2 t -136.46 138.58 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.0 168.45 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.56 -54.57 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.18 -105.94 0.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.557 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.0 38.42 2.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.77 -145.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -128.1 42.59 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -131.01 141.68 50.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -141.81 147.68 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.451 ' CD2' ' CD ' ' B' ' 52' ' ' ARG . 8.5 m-85 -146.07 170.86 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 111.039 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.6 m -61.2 178.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -30.36 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -94.71 17.62 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.232 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 51.3 m -101.19 -65.89 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.1 -29.67 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -48.81 -27.94 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.281 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -47.03 65.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 50.2 m -138.51 57.06 1.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.423 HG13 ' N ' ' B' ' 80' ' ' GLY . 0.6 OUTLIER -95.89 139.66 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.359 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . 0.423 ' N ' HG13 ' B' ' 79' ' ' ILE . . . 112.38 -28.8 8.79 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.808 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.3 t -76.36 -28.54 56.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 110.601 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.38 139.12 9.91 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.42 127.61 77.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.594 0.235 . . . . 0.0 110.973 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -78.54 -16.35 13.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.57 2.18 . . . . 0.0 112.606 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 26.3 t -89.51 -28.63 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 16.1 m -94.81 -18.58 21.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.216 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 65.21 36.79 6.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 89.7 m -132.63 139.33 34.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.751 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.0 143.64 55.22 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.449 2.099 . . . . 0.0 112.33 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.81 91.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . 0.415 ' CZ2' ' HG2' ' A' ' 38' ' ' LYS . 51.6 t90 -57.51 -23.37 49.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.1 pt -96.61 85.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -58.48 -27.57 64.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -99.74 164.98 11.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.44 73.35 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -69.7 137.5 52.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.459 HD13 HG21 ' B' ' 97' ' ' ILE . 37.7 mt -110.64 134.84 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -93.44 90.22 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -56.58 -29.05 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.19 -55.28 19.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' A' ' 79' ' ' PHE . 11.3 tp -59.97 -30.97 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.8 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.81 -50.76 65.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.664 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -60.7 -31.85 71.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.72 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.4 mtp -60.26 -42.53 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 4.8 mt -59.73 -57.02 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.009 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -57.89 -32.11 67.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.678 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -53.01 62.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.726 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.6 t -57.71 -31.7 66.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.769 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -39.66 85.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -62.21 -48.63 79.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.618 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 tp -60.28 -37.3 80.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -59.54 -38.49 81.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -68.53 -33.43 74.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -75.55 -30.94 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mp -74.59 -30.94 61.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -133.0 109.73 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.887 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.417 HD23 ' CZ3' ' B' ' 34' ' ' TRP . 5.1 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.015 0.436 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 m 64.16 15.4 9.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.349 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.72 23.15 3.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.715 0.293 . . . . 0.0 111.535 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.75 -30.75 61.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.725 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -164.88 -80.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.404 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t 64.1 -73.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.281 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -55.79 -30.76 61.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.044 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.06 -59.89 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.768 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.414 ' HB ' ' CE1' ' A' ' 93' ' ' PHE . 22.5 t -59.46 -39.53 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -54.32 -47.16 72.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -60.74 -31.87 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.2 t -68.39 -43.32 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.7 -44.27 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.69 -45.16 72.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.78 -33.23 70.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.7 ttm -71.41 -31.32 67.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.802 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.88 -28.9 67.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -57.04 -33.67 67.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.3 mp -70.09 -21.63 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.432 HD11 ' CD2' ' A' ' 79' ' ' PHE . 2.9 mm? -117.98 41.04 2.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.696 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -104.16 -175.61 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.7 t -108.98 140.1 21.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.644 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.434 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 63.0 Cg_endo -93.17 -9.8 1.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.887 2.391 . . . . 0.0 114.652 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 27' ' ' CYS . 3.1 pt -129.64 -32.97 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.448 ' N ' HG13 ' A' ' 26' ' ' ILE . 9.8 m -106.01 -14.78 15.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.573 0.225 . . . . 0.0 111.318 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 2.7 mm? 60.67 26.37 16.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.685 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.2 mt-10 -111.65 124.53 52.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.7 tp -37.11 102.3 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.499 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.4 pt -52.28 136.17 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.505 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -36.8 5.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.627 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -114.56 81.66 7.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.567 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -49.07 140.82 23.94 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.648 2.232 . . . . 0.0 112.502 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -149.42 126.71 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.7 p -93.96 116.83 29.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 p -79.69 162.7 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.496 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -47.99 -27.54 2.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.901 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.1 t -91.73 15.54 12.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.33 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 63.65 41.54 7.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.851 0.357 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 26.1 m170 -109.27 149.15 29.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 41.8 mm -98.63 150.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.462 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.444 ' CD1' ' CE ' ' A' ' 48' ' ' MET . 92.6 m-85 -157.62 172.32 18.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.53 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.8 p -97.93 31.13 2.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 tptt 70.17 -63.29 0.4 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -29.23 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.431 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.1 m -60.59 -38.56 85.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.444 ' CE ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -59.11 -38.77 80.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.56 -47.8 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.821 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -69.38 -37.87 77.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.32 -30.83 66.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 mt -82.31 -34.26 28.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -98.56 -0.55 43.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.421 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -59.32 -75.71 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.71 28.92 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mttt 60.28 158.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.54 -156.92 52.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.553 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.79 152.7 12.82 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.606 2.204 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.09 138.05 34.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -96.83 114.72 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.35 116.74 12.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -86.51 39.33 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.714 2.276 . . . . 0.0 112.602 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -133.95 -47.09 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.948 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.0 p -135.0 27.67 3.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tptt 55.7 23.25 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.25 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -60.07 -167.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -140.49 110.58 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -101.86 141.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.51 49.57 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.402 ' HA ' HD23 ' A' ' 73' ' ' LEU . 3.7 tttt 55.86 -173.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.81 -62.6 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.309 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -21.41 35.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.299 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 70' ' ' LYS . 3.3 mm? -70.76 106.76 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -130.06 123.06 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.28 118.08 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -91.81 157.68 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.6 m -112.96 -21.4 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.262 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.34 -35.39 69.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.07 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.432 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.9 m-85 -102.77 22.07 14.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.199 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.5 t -91.5 -58.32 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.661 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -66.6 -27.77 67.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -59.2 -31.98 69.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.6 t -75.28 -56.0 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.092 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.58 -39.31 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.39 -42.27 95.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -38.0 78.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.48 -42.88 93.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -66.32 -32.0 73.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.6 mt -74.81 -31.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.421 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 5.4 mt -79.37 -47.56 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.1 m -59.59 -46.01 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.411 ' O ' ' CD2' ' B' ' 36' ' ' HIS . . . -59.57 -43.81 93.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.414 ' CE1' ' HB ' ' A' ' 11' ' ' VAL . 13.7 t80 -56.43 -30.69 63.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.28 -30.93 54.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 tp -62.56 -33.24 74.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.95 -71.69 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.406 HG22 ' CZ ' ' A' ' 93' ' ' PHE . 12.6 p -59.57 -57.39 13.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.82 27.53 23.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.1 mp -92.09 164.59 13.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -78.55 152.48 31.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.421 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 47.6 t80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . 0.417 ' CZ3' HD23 ' A' ' 3' ' ' LEU . 12.1 m95 60.11 30.72 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.14 -62.11 1.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.411 ' CD2' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.11 -30.64 69.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.5 t -62.46 -31.55 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -44.99 52.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.53 92.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.04 -36.09 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.76 -46.58 88.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.79 -34.87 76.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -57.87 -39.21 77.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 tt -77.47 -29.96 52.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.86 -31.02 68.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -30.72 64.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.68 18.01 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.215 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.76 -41.51 2.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -55.76 130.18 42.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 48.0 t -60.15 156.42 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.421 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 1.3 m -78.77 -34.06 45.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -60.33 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.787 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 35.9 m -57.39 -22.48 43.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 5.3 t 44.12 62.25 2.05 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.42 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -168.52 -178.49 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.81 75.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 pp -51.38 170.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -149.86 124.0 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.588 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 68.5 tt0 56.36 53.42 7.55 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.607 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 52.1 Cg_endo -69.52 -174.23 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.59 2.193 . . . . 0.0 112.577 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 22.3 t -131.34 145.78 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.0 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.3 m -73.67 140.19 45.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.42 HD23 ' CE1' ' B' ' 70' ' ' PHE . 1.1 tm? -63.04 -63.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.81 -51.59 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.49 43.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.523 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.34 -80.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 177.34 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.423 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 31.3 m80 -55.42 140.32 40.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.168 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 mp -131.59 128.99 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.7 OUTLIER -129.16 167.24 17.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.867 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 16.0 m -62.36 -169.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.689 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -96.31 27.88 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -156.19 23.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 12.5 m -132.67 -49.86 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.6 p -57.95 -31.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.071 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -64.52 80.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -152.31 -47.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 69.2 m -128.16 38.41 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.785 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 12.8 mm -73.29 -31.86 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.39 -27.77 68.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.49 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.1 t -105.53 -47.62 3.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.72 -118.3 0.87 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.441 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 45.0 t -118.05 134.31 23.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 120.622 0.248 . . . . 0.0 110.77 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -77.87 -16.67 14.33 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.517 2.145 . . . . 0.0 112.692 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 20.9 t -96.37 -66.78 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.798 0.332 . . . . 0.0 111.336 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 27.0 m -70.8 -14.49 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.319 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 61.94 26.51 16.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.75 0.309 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 64.7 m -93.67 128.81 40.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.07 143.1 63.76 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.38 2.054 . . . . 0.0 112.295 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.84 114.52 7.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -94.08 16.57 14.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.327 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 14.4 pt -118.19 -41.24 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 61.12 15.77 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -160.84 -176.51 5.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 29.2 mt -109.2 90.9 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -84.49 -172.37 4.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 23.4 mm -131.96 135.39 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.18 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -81.32 81.35 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.757 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -56.98 -32.12 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -81.67 -55.8 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.942 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -41.21 94.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.685 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -59.12 -48.57 81.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.85 -30.45 63.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.545 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' MET . . . . . 0.411 ' CE ' ' CD2' ' A' ' 22' ' ' LEU . 24.9 ttm -71.02 -32.38 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.654 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.1 -51.47 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.562 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.73 -31.44 71.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.63 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -51.1 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.781 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.5 t -58.52 -31.84 68.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -41.3 93.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.707 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -59.87 -51.33 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.785 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -35.86 81.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -38.13 78.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -87.29 -31.24 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.08 -31.54 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.33 -31.22 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -59.86 -42.09 92.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.419 HD22 ' CH2' ' B' ' 34' ' ' TRP . 3.2 tp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.86 0.362 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m 62.17 21.32 12.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.27 23.32 5.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.419 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.28 -53.17 61.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.017 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -175.36 49.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.416 HG12 ' CZ ' ' A' ' 93' ' ' PHE . 21.5 t -85.13 -30.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.73 -38.72 73.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.71 -52.58 29.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.409 HG11 ' CE1' ' A' ' 93' ' ' PHE . 38.9 t -59.13 -47.25 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -53.16 -34.95 59.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -69.5 -30.96 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 t -73.93 -37.12 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.414 HG22 ' CE1' ' A' ' 101' ' ' TYR . 23.9 mm -65.12 -32.47 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.98 -45.66 60.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.46 90.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.0 ttm -57.72 -41.07 81.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -59.24 -40.09 84.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -59.05 -31.92 69.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.9 mt -70.59 -31.34 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.75 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.43 HD11 ' CD1' ' A' ' 79' ' ' PHE . 3.8 mm? -105.14 29.58 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.762 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.86 -169.49 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.133 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 10.7 t -114.93 137.47 22.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.944 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -93.86 13.12 1.64 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.976 2.451 . . . . 0.0 114.019 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.417 HG23 ' CE2' ' A' ' 43' ' ' PHE . 2.3 pp -138.0 -40.2 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.6 p -125.07 2.34 7.95 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.5 mm? 57.09 29.8 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.343 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.3 mm-40 -103.96 119.61 39.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.608 0.242 . . . . 0.0 110.862 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 tp -38.17 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.385 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.1 pt -49.78 133.54 8.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.633 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.43 -33.42 6.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -115.76 80.73 8.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.73 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -51.34 131.65 36.93 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.597 2.198 . . . . 0.0 112.542 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.56 120.67 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.8 p -75.55 128.91 36.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.448 ' CG2' ' CD1' ' A' ' 43' ' ' PHE . 4.0 p -95.79 162.94 13.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.7 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD3' ' CZ3' ' B' ' 91' ' ' TRP . 0.5 OUTLIER -47.82 -28.36 2.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.537 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.8 m -96.26 26.46 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.122 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 54.27 51.22 14.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.29 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' A' ' 39' ' ' CYS . 89.5 m-70 -126.02 151.42 47.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.422 HG13 ' CD2' ' A' ' 79' ' ' PHE . 32.8 mm -97.78 138.37 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.448 ' CD1' ' CG2' ' A' ' 37' ' ' THR . 15.5 m-85 -136.38 177.44 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 46' ' ' PHE . 3.7 m -99.56 30.49 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt 64.02 -75.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 44' ' ' CYS . 1.1 t80 -52.47 -26.31 12.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.204 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.2 m -57.51 -31.42 66.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.2 mmt -68.85 -37.3 79.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.5 -56.18 25.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -38.64 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.796 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 tp -69.99 -32.59 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -77.72 -30.93 51.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.38 -20.08 20.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -54.39 -30.6 52.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.104 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -136.77 23.98 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? 60.66 154.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.989 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.09 -156.25 11.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.584 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.12 158.77 3.11 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.593 2.195 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.18 -174.66 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -133.73 113.39 12.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.7 t -57.1 109.49 1.77 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.54 -15.4 22.0 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.508 2.139 . . . . 0.0 112.68 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.41 ' CD2' ' ND1' ' A' ' 41' ' ' HIS . 4.7 mp -79.47 -28.37 41.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 111.228 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 m -138.95 21.45 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.274 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.02 28.06 1.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -82.95 -169.15 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -124.62 102.08 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.1 mt -82.48 158.59 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.22 -174.62 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -98.17 33.66 2.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.9 mtm-85 -168.34 34.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.74 -43.2 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.07 169.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -141.63 91.19 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.29 102.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.0 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 m -130.2 -175.77 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.1 m -114.34 85.68 2.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -53.16 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 42.2 m-85 -108.39 33.3 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.741 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 p -85.56 -41.56 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -83.53 -31.2 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.482 ' CD1' ' CD1' ' A' ' 79' ' ' PHE . 44.6 mt -63.15 -30.78 71.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.6 t -82.93 -34.7 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -76.68 -49.72 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -41.34 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.3 tp -57.59 -47.68 81.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.766 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.5 mt -57.05 -31.04 64.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -73.89 -37.19 64.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.759 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.2 mt -66.92 -32.7 59.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.405 HG22 ' CD1' ' A' ' 101' ' ' TYR . 11.9 mt -68.29 -42.46 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.1 m -64.8 -36.35 84.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' B' ' 36' ' ' HIS . . . -59.74 -40.72 89.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.416 ' CZ ' HG12 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -59.13 -56.17 25.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -62.32 -30.9 71.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.12 -41.93 93.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -98.55 -65.74 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.6 p -58.64 -56.59 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.99 26.96 22.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.548 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.11 165.97 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.58 131.06 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.414 ' CE1' HG22 ' A' ' 15' ' ' ILE . 38.3 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.811 0.339 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' TRP . . . . . 0.419 ' CH2' HD22 ' A' ' 3' ' ' LEU . 25.7 m95 60.14 31.5 20.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.86 -60.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.01 -30.72 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -35.24 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -44.3 54.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.0 75.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.49 69.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.75 -46.87 88.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -59.68 -36.08 75.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -61.81 -40.93 96.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.09 -31.22 67.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -58.88 -39.87 82.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -26.29 60.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.65 -30.01 41.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.32 -25.24 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -52.72 122.14 8.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.97 149.85 14.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -29.9 59.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -97.88 -58.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.408 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.1 m -63.91 -16.76 62.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.308 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.1 t 44.63 45.31 7.91 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.921 0.391 . . . . 0.0 111.382 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -157.46 -172.39 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.819 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 34.0 mm -68.2 128.86 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.37 151.69 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 ptt-85 -127.74 119.46 25.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 11.3 tt0 58.84 54.31 5.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.706 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 41.4 Cg_endo -67.25 177.15 4.0 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.605 2.204 . . . . 0.0 112.362 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 38.4 t -124.64 146.86 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.07 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 29.3 p -77.32 134.67 38.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.752 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.417 HD22 ' CE1' ' B' ' 70' ' ' PHE . 0.5 OUTLIER -58.75 -58.72 7.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.07 -66.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.6 40.93 0.53 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.585 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.1 p -123.39 -145.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -131.05 42.43 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 111.077 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.421 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.4 m170 -135.5 137.35 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.01 141.2 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.5 OUTLIER -139.25 173.0 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 15.8 m -62.26 -176.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.711 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.9 p -102.16 26.37 7.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -148.68 17.58 1.01 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.458 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 7.0 p -133.35 -44.94 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 111.053 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 12.0 p -62.96 -30.9 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 50.0 m -53.03 -30.71 37.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.43 105.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.821 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 6.5 m 59.32 25.71 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -41.52 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.448 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.62 69.63 1.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.533 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 58.2 m -163.76 -44.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.833 0.349 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.42 140.64 5.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.363 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 51.7 t -56.76 133.14 78.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.584 0.231 . . . . 0.0 110.978 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.6 -19.37 8.8 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.593 2.195 . . . . 0.0 112.703 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.2 t -91.53 -26.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.323 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 61.3 m -103.22 -22.97 13.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 62.36 38.73 12.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.914 0.388 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 142.66 28.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.69 144.05 43.31 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.442 2.095 . . . . 0.0 112.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.4 113.68 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -95.21 18.45 12.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.237 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.8 pt -127.0 92.47 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.29 -29.55 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.08 -177.15 3.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 tp -100.99 80.91 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -63.65 176.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 24.1 mm -131.72 134.32 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.112 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.14 90.68 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -58.96 -39.28 81.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -69.18 -56.43 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.425 ' HG ' ' CZ ' ' A' ' 79' ' ' PHE . 13.4 mt -60.23 -36.78 78.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -56.83 -60.48 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.1 m -60.63 -31.29 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.74 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 30.2 tpp -60.31 -38.15 82.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.763 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 5.6 mt -66.22 -44.51 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -30.69 68.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.96 -44.18 81.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.5 t -59.21 -36.02 74.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.796 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 36.5 m -66.98 -32.05 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.781 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -60.7 -48.94 79.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.732 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.86 -35.6 75.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -59.68 -39.09 83.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -74.95 -40.78 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.47 -31.25 69.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 7.4 mt -75.92 -55.13 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -73.22 -31.33 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.22 35.0 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.444 ' CD2' ' CZ2' ' B' ' 34' ' ' TRP . 0.9 OUTLIER 58.37 30.77 20.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m 62.2 17.6 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.219 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.47 21.7 5.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.428 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.33 107.49 18.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.7 39.75 31.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.87 -30.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.14 -31.61 64.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -66.66 -48.69 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.9 t -58.22 -56.01 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.226 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -49.28 -32.22 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -31.4 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.668 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 36.9 t -79.3 -30.53 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.978 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.4 mm -71.57 -35.82 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -70.9 -51.59 25.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.44 -29.91 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.1 tpp -68.26 -43.87 76.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -59.67 -29.53 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -58.44 -42.89 88.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.408 ' HA ' ' NE2' ' B' ' 100' ' ' GLN . 4.7 mp -67.33 -29.45 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.73 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.6 mm? -105.65 35.14 2.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -99.61 -169.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.449 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 9.9 t -111.61 138.71 21.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.931 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -93.69 11.6 1.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.96 2.44 . . . . 0.0 114.042 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pp -138.97 -52.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.5 p -106.0 -3.98 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 60.6 31.95 20.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.581 0.229 . . . . 0.0 111.358 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.5 mm-40 -111.62 124.75 52.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.623 0.249 . . . . 0.0 110.751 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.5 tp -38.11 101.78 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.479 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.4 pt -53.69 138.46 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.618 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -108.76 -44.95 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -107.58 77.55 0.61 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.39 120.24 7.97 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.62 2.213 . . . . 0.0 112.49 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 p -129.24 132.29 67.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.852 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 p -81.15 123.16 28.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.424 HG21 ' CD1' ' A' ' 43' ' ' PHE . 77.3 p -91.86 162.89 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' CE ' ' CH2' ' B' ' 91' ' ' TRP . 4.8 tptm -45.96 -28.29 1.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.728 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.6 t -94.02 26.8 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.316 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 52.83 38.67 27.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.342 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.441 ' CE1' HD22 ' A' ' 63' ' ' LEU . 36.3 m-70 -115.47 158.02 23.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.414 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 42.5 mm -100.49 155.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.406 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.424 ' CD1' HG21 ' A' ' 37' ' ' THR . 33.0 m-85 -152.33 -177.53 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.608 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.2 m -102.45 22.95 12.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.915 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? 69.27 -65.27 0.3 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -56.35 -34.41 66.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.6 m -58.23 -33.76 69.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.4 mmt -70.9 -34.16 71.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.05 -44.62 91.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.786 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -40.15 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.45 -30.56 71.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mt -94.07 -29.04 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -65.53 -31.07 71.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.12 132.31 53.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.1 70.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.53 18.25 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.93 -154.33 49.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.546 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.42 141.04 7.87 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.748 2.299 . . . . 0.0 112.609 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -57.6 154.14 11.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -118.25 107.37 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.418 ' N ' ' HA ' ' A' ' 66' ' ' ASN . 25.2 t -51.42 107.0 0.72 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.204 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.91 -9.09 25.02 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.37 2.047 . . . . 0.0 112.444 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' A' ' 41' ' ' HIS . 3.6 mp -77.95 -36.52 49.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.046 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.8 p -115.81 -52.76 2.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.849 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.84 -35.91 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.302 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 18.5 p30 -178.27 -155.83 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.834 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 16.4 t70 82.8 68.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.947 0.403 . . . . 0.0 111.686 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.5 mt -157.05 142.94 9.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.816 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.0 p -144.95 165.69 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -60.18 -65.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.767 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -73.85 64.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 m -147.4 -66.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.3 163.68 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -169.09 130.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.87 100.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.1 m -95.57 -25.21 16.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.2 m 62.59 67.09 0.73 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.4 ttp-105 -112.17 -36.78 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.76 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.429 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.5 m-85 -104.79 30.25 5.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.763 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.3 p -84.31 -63.31 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -58.4 -29.81 66.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.61 -31.42 72.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 t -83.52 -46.37 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.48 -46.23 80.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.78 -49.94 75.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.03 -44.8 61.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.991 0.424 . . . . 0.0 111.005 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.11 -38.4 68.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.23 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -26.2 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.096 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.8 mt -69.9 -42.32 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.414 HG12 ' CZ ' ' A' ' 101' ' ' TYR . 3.6 mt -65.88 -34.43 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.049 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.52 -41.31 98.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' B' ' 36' ' ' HIS . . . -65.44 -35.89 82.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -59.14 -54.48 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.88 -30.15 70.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -40.17 84.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -98.34 -72.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.5 p -60.24 -52.74 63.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.41 27.5 43.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.594 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.5 mp -89.03 161.49 16.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.49 149.64 48.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.414 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 24.7 t80 -107.42 -57.36 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -174.49 151.67 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.89 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 1.1 ttp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.89 0.376 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -143.93 157.97 56.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.15 -41.9 3.42 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.565 2.177 . . . . 0.0 112.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -127.82 31.31 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.61 93.66 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 68.31 -69.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.5 -53.64 4.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.6 168.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . 0.444 ' CZ2' ' CD2' ' A' ' 3' ' ' LEU . 22.6 m95 59.44 30.18 19.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.06 -51.96 10.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -62.26 -31.3 71.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.403 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 2.8 t -68.87 -36.32 77.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.37 -45.01 95.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.87 73.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.4 82.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 tp -59.97 -50.18 74.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.52 -37.63 76.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -61.86 -52.23 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.32 -32.92 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.39 -37.45 80.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.981 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -30.77 67.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.55 -12.79 59.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.288 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -109.93 -26.01 9.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.713 0.292 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -51.38 119.23 3.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.117 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 54.1 t -58.49 156.51 10.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.69 -38.42 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.4 -56.27 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.407 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.0 m -72.31 -9.62 58.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.369 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.52 41.02 4.35 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.954 0.407 . . . . 0.0 111.427 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.92 176.88 10.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 4.0 mp -57.73 134.95 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.804 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.34 176.87 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.31 118.79 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.549 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 33.7 tt0 53.27 52.58 10.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.51 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 61.1 Cg_endo -72.84 -173.78 1.32 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.632 2.221 . . . . 0.0 112.633 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.69 144.5 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.804 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 44.5 t -61.0 -99.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tm? 76.59 -52.64 0.59 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.813 0.34 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.56 73.92 0.23 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.76 -25.0 14.31 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.653 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -87.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.394 0.14 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -155.69 23.21 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.654 0.264 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.42 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 8.5 m80 -111.5 158.12 19.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 111.001 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 7.4 mt -150.17 147.03 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.89 170.75 15.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.96 176.53 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.721 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.9 m -94.32 22.67 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.77 19.17 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.199 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 10.0 m -127.57 -46.58 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 10.0 p -67.57 -30.12 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.021 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -24.89 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.263 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -94.77 25.25 4.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.054 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.02 32.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.76 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.6 mm -78.1 -26.52 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.236 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.07 42.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.681 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 80.9 m -107.98 -70.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.75 -113.84 0.64 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.6 t -91.02 134.15 30.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.571 0.224 . . . . 0.0 110.792 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.61 -12.9 18.35 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.474 2.116 . . . . 0.0 112.905 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.42 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 21.7 t -107.15 -67.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 111.345 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 87.4 m -65.68 -15.84 63.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 61.85 21.33 12.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.721 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 85.0 m -77.74 139.7 62.7 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.779 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.24 143.81 60.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.435 2.09 . . . . 0.0 112.258 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.02 144.73 48.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.065 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . 0.45 ' CH2' ' CE ' ' A' ' 38' ' ' LYS . 16.5 t90 -108.73 -23.77 11.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 pt -111.04 115.0 48.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -69.19 -41.46 77.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.16 146.44 23.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.66 78.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -71.74 172.12 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 25.9 mm -129.7 158.74 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -121.27 97.99 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -60.06 -31.26 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 21' ' ' ILE . 1.3 mm-40 -62.69 -64.29 0.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.79 -33.2 68.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -63.32 -47.99 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -31.36 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.763 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.5 mtp -62.94 -37.85 88.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 6.5 mt -64.92 -49.52 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -43.33 83.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 2.6 mt -62.25 -44.64 96.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.32 -34.96 72.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -61.26 -39.1 89.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.635 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.51 -59.15 5.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.72 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 5.3 mt -48.96 -35.83 16.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -39.9 80.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -76.59 -35.37 58.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 55.4 mt -59.76 -38.52 82.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -38.53 59.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -68.78 -41.38 78.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.57 109.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -83.32 105.33 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -97.16 92.78 6.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 tt -160.52 130.82 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 80.2 p -87.27 -74.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.929 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.845 0.355 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -148.02 159.48 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.446 ' CD1' ' CZ2' ' B' ' 34' ' ' TRP . 0.2 OUTLIER -104.66 49.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.788 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 76.42 1.99 3.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.621 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.96 23.58 6.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.73 0.3 . . . . 0.0 111.454 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.25 -29.51 23.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.194 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.404 ' O ' ' CZ2' ' B' ' 34' ' ' TRP . 5.6 ttt180 -179.1 74.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.3 t -107.84 -46.04 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.84 -33.92 72.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -68.27 -55.46 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.0 t -58.53 -39.85 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -44.28 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.061 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.54 -30.07 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 t -67.79 -30.0 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.22 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.2 mm -79.35 -36.15 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -65.02 -52.36 56.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.78 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.8 ttm -56.4 -48.13 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -36.26 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -62.47 -32.77 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.783 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.9 mt -68.64 -30.63 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.943 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 ' CD2' ' CE1' ' A' ' 79' ' ' PHE . 5.5 mt -111.45 30.39 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.666 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -87.18 -165.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.452 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 11.7 t -112.06 138.79 21.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.005 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -93.72 12.81 1.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 123.012 2.475 . . . . 0.0 114.08 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.408 ' CD1' ' N ' ' A' ' 27' ' ' CYS . 2.5 pp -141.3 -51.76 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.408 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 23.5 p -106.56 -3.65 20.55 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 59.28 33.29 22.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.355 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.6 mm-40 -111.94 127.19 55.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.618 0.247 . . . . 0.0 110.795 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.9 tp -38.66 99.51 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.962 0.411 . . . . 0.0 111.264 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.8 pt -49.15 132.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.845 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -103.07 -46.18 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.293 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -107.24 74.61 0.41 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.153 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.95 126.67 22.98 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.804 2.336 . . . . 0.0 112.738 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 27.6 m -126.03 176.7 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.453 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 p -127.2 114.49 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' CE1' ' A' ' 43' ' ' PHE . 7.8 p -84.12 158.96 21.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HA ' ' CZ3' ' B' ' 91' ' ' TRP . 17.9 tttt -47.5 -26.41 1.39 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.643 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.5 t -91.23 23.83 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 111.361 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 54.97 34.97 23.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.229 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.428 ' CE1' HD22 ' A' ' 63' ' ' LEU . 26.5 m-70 -107.87 161.97 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 40.0 mm -109.07 147.99 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 111.629 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CE1' HG23 ' A' ' 37' ' ' THR . 37.7 m-85 -147.03 -177.64 5.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 5.5 m -100.47 29.64 4.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' NZ ' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER 69.15 -69.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -26.94 68.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.388 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.1 m -52.07 -29.07 19.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.769 0.319 . . . . 0.0 111.127 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.0 mmm -77.56 -32.01 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -52.76 47.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -39.55 74.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -60.05 -30.5 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mt -74.78 -30.97 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -90.44 -30.71 17.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -59.16 -31.57 69.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -123.56 135.97 54.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -59.55 111.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.46 -156.76 15.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -51.51 176.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.59 2.194 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.32 -39.6 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.52 104.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 t -52.56 108.93 1.21 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.48 -9.14 25.23 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.332 2.021 . . . . 0.0 112.45 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.428 HD22 ' CE1' ' A' ' 41' ' ' HIS . 3.3 mp -82.09 -31.24 30.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.124 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.3 m -117.47 -61.81 1.65 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.882 0.372 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.79 -30.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.49 138.92 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.89 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.34 39.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.3 mt -151.39 153.35 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -162.03 67.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mttt 63.25 -79.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -87.16 55.28 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -111.27 -51.47 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.405 ' CD1' ' NZ ' ' A' ' 45' ' ' LYS . 1.1 pt? -75.59 -174.31 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -151.86 130.88 12.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -74.16 136.29 42.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -168.02 -175.47 2.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.3 m -127.76 92.79 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 78' ' ' ARG . 4.9 ttm105 -127.47 -53.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.456 ' CE1' ' CD2' ' A' ' 22' ' ' LEU . 2.2 m-85 -98.34 28.53 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.9 t -90.69 -62.27 1.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -57.61 -28.82 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 79' ' ' PHE . 3.3 mt -67.77 -33.08 74.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.1 t -77.47 -41.68 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.51 -47.7 66.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.789 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -39.55 79.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.3 tp -59.92 -45.28 93.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.734 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 tp -55.92 -31.97 63.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.78 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -73.42 -33.01 64.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 29.5 mt -68.62 -34.84 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.42 HG23 ' CD2' ' A' ' 101' ' ' TYR . 3.9 mt -71.69 -44.18 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.2 m -58.99 -34.46 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.405 ' O ' ' CE1' ' B' ' 36' ' ' HIS . . . -68.04 -38.59 82.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.042 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -58.61 -49.22 78.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -64.57 -27.41 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -50.4 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -93.32 -66.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.6 p -60.19 -57.23 13.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.39 28.08 31.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.603 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.1 mp -87.3 162.03 17.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -69.29 176.37 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.42 ' CD2' HG23 ' A' ' 90' ' ' ILE . 86.3 t80 -162.7 -62.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.79 -47.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.959 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 31.1 mtp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.818 0.342 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 60.19 80.09 0.28 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.11 107.6 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.551 2.167 . . . . 0.0 112.369 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -134.74 80.36 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.2 34.63 90.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -64.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.44 -119.28 0.96 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.557 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.9 146.53 45.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . 0.446 ' CZ2' ' CD1' ' A' ' 3' ' ' LEU . 21.9 m95 60.23 31.34 20.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.73 -50.34 8.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.405 ' CE1' ' O ' ' A' ' 92' ' ' ALA . 9.5 p80 -60.02 -29.68 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.995 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.403 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 29.1 t -71.87 -35.71 69.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -60.19 -42.14 94.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.09 64.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.01 92.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.57 -41.62 90.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.22 -31.49 70.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -64.08 -46.72 83.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 tt -67.84 -32.91 73.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.74 -39.58 85.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.7 -30.84 67.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.23 -31.28 62.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mp -88.76 -22.55 23.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.54 117.54 2.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 50.5 t -56.86 155.41 7.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.016 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -37.61 41.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -86.3 -56.79 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.4 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.1 m -67.27 -14.42 62.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.299 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.47 37.01 1.87 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.803 0.335 . . . . 0.0 111.299 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -159.05 -171.76 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.779 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -59.32 126.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.55 -178.72 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.1 125.22 9.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.1 tp10 54.79 52.39 8.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 71.7 Cg_endo -76.89 179.62 6.32 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.532 2.155 . . . . 0.0 112.584 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.07 152.81 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.047 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.43 -77.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 76.56 107.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.812 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.71 -66.44 2.4 Favored Glycine 0 C--N 1.318 -0.466 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.633 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.13 56.31 0.84 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -122.04 -86.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.62 0.248 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -157.4 23.93 0.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 110.982 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.425 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 32.7 m170 -132.53 115.42 15.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.964 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.95 145.83 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -136.56 176.41 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.8 p -92.43 156.18 17.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.6 t -58.64 -20.59 49.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.28 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -94.16 19.59 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.485 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 8.3 m -141.87 -53.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.819 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.403 ' CG2' ' CD1' ' B' ' 79' ' ' ILE . 13.1 p -59.3 -29.98 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 5.8 m -54.04 -23.93 15.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.285 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -94.01 25.15 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 5.6 t -163.69 30.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.403 ' CD1' ' CG2' ' B' ' 75' ' ' VAL . 12.5 mm -91.4 160.94 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.51 -34.61 5.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.092 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -95.48 -63.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.623 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.25 -114.34 0.76 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.354 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.8 t -121.16 134.31 24.39 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.618 0.247 . . . . 0.0 110.766 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.13 -11.75 13.35 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.611 2.207 . . . . 0.0 113.036 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.425 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 21.2 t -106.85 -67.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 111.378 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 93.8 m -64.93 -15.03 61.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 65.43 20.75 11.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 90.7 m -84.71 113.7 50.97 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.05 142.66 53.34 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.297 1.998 . . . . 0.0 112.245 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.86 89.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.953 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . 0.421 ' CZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -56.39 -24.07 42.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.331 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.78 96.2 4.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -59.2 -33.65 71.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.69 155.86 17.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.06 80.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -77.3 169.54 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.429 HG21 HD11 ' B' ' 97' ' ' ILE . 24.1 mm -131.59 153.92 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.277 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -111.77 87.85 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.663 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -37.72 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.19 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.07 -44.15 97.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 10.4 mt -69.6 -44.87 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -65.06 -50.67 65.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.8 t -53.77 -33.05 54.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.669 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 23.3 ttm -67.25 -34.88 78.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.552 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 mt -58.11 -45.09 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.597 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.28 -38.32 83.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.453 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.23 -50.3 64.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.8 t -57.97 -36.26 72.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.72 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -35.3 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.63 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -60.52 -50.34 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.671 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.28 -34.17 70.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.61 82.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -79.77 -31.81 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.766 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 11.3 mt -71.09 -35.87 71.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.45 -36.63 71.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -130.44 108.28 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.17 83.31 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.51 137.87 39.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -95.48 164.83 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 25.4 tp -131.14 -46.38 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m -81.69 -62.95 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 p30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.906 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 ttp . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.874 0.369 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.71 30.79 1.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.418 HD21 ' CH2' ' B' ' 34' ' ' TRP . 1.1 tp 59.07 30.88 20.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 59.18 26.21 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 7' ' ' ARG . . . 62.51 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.65 -78.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 5' ' ' ALA . 2.4 ttt85 -167.65 33.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.409 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 21.6 t -59.12 -30.69 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.72 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.33 -41.58 89.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.4 HG13 ' CE1' ' A' ' 93' ' ' PHE . 23.9 t -69.84 -31.09 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.054 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.59 -36.33 82.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -71.88 -31.26 66.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 t -65.66 -55.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.11 -30.05 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.11 -49.12 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.49 93.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 ttm -56.8 -47.01 81.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.036 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -39.5 86.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -59.81 -36.5 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.3 mt -63.24 -27.77 43.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' CD2' ' CE2' ' A' ' 79' ' ' PHE . 3.5 mt -114.62 44.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.586 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.41 -174.32 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 9.5 t -104.01 140.41 21.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.546 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.418 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 69.4 Cg_endo -91.99 -10.74 2.31 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.696 2.264 . . . . 0.0 114.773 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 27' ' ' CYS . 3.1 pt -131.63 -33.71 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.47 ' N ' HG13 ' A' ' 26' ' ' ILE . 16.6 m -101.93 -15.87 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.607 0.241 . . . . 0.0 111.335 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.432 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 3.3 mm? 60.24 26.77 16.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.821 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.5 mt-10 -111.5 125.89 54.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 tp -41.2 100.21 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.3 pt -50.92 133.43 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.509 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -110.85 -29.98 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -114.31 83.19 8.1 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.748 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.13 125.58 15.19 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.591 2.194 . . . . 0.0 112.55 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.63 119.4 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 t -78.65 138.0 38.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.0 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.437 HG22 ' CE2' ' A' ' 43' ' ' PHE . 9.8 p -107.05 161.04 15.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HA ' ' CZ3' ' B' ' 91' ' ' TRP . 8.3 tttp -48.94 -26.01 2.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.496 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.8 t -91.65 21.87 4.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 t70 56.4 42.19 27.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.443 ' CE1' HD23 ' A' ' 63' ' ' LEU . 50.2 m-70 -124.15 158.14 33.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.065 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.5 mm -100.75 157.87 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.325 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE2' HG22 ' A' ' 37' ' ' THR . 45.1 m-85 -152.34 -177.21 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.54 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.6 p -128.13 45.56 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 111.345 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.62 157.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.656 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 75.84 -49.22 0.61 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.102 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.8 m -45.59 -29.88 1.33 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.826 0.346 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.1 mmm -78.57 -36.99 43.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.26 -55.33 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -60.11 -47.09 87.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.36 -30.8 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.4 mt -86.12 -32.13 21.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -77.86 -37.2 48.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -59.88 -31.62 69.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -124.6 115.91 21.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -59.67 104.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.62 -163.15 19.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.05 142.58 43.88 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -175.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -150.61 105.36 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.7 t -47.78 107.76 0.79 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.301 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.05 -5.17 16.73 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.37 2.047 . . . . 0.0 112.481 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.443 HD23 ' CE1' ' A' ' 41' ' ' HIS . 4.1 mp -82.31 -34.15 28.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.011 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 p -118.25 -55.4 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 171.69 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.3 p30 172.12 139.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.63 40.95 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.3 mt -148.49 150.52 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.48 -179.06 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -80.84 134.16 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? 60.44 78.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -174.89 77.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.46 167.21 14.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -136.03 76.38 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.74 102.31 2.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.94 151.19 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -78.49 79.54 4.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -116.84 -58.67 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.416 ' CE2' ' CD2' ' A' ' 22' ' ' LEU . 4.3 m-85 -99.15 33.63 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.63 -59.09 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -63.2 -29.88 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.782 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.4 mt -64.88 -42.22 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 t -69.8 -43.36 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.04 -48.03 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.79 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -34.38 73.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -43.64 92.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.61 -40.39 87.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -63.93 -37.77 88.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.7 mt -70.01 -30.2 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.418 HG23 ' CD1' ' A' ' 101' ' ' TYR . 7.2 mt -78.77 -44.91 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.6 m -59.28 -49.75 76.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.8 83.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.409 ' CZ ' HG11 ' A' ' 8' ' ' VAL . 37.4 t80 -57.99 -51.21 70.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -72.13 -28.34 63.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.0 tp -58.09 -31.49 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -105.47 -60.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.5 p -59.9 -46.29 89.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.61 24.59 49.69 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.583 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 mp -90.98 164.35 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.337 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.44 148.49 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.418 ' CD1' HG23 ' A' ' 90' ' ' ILE . 8.8 t80 -106.36 168.69 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.51 153.98 21.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.913 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.878 0.371 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -147.66 87.22 6.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.06 -37.41 8.49 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.613 2.208 . . . . 0.0 112.254 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 60.67 -176.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.9 32.03 2.15 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -150.74 36.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.84 123.04 1.02 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.62 146.97 46.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . 0.418 ' CH2' HD21 ' A' ' 3' ' ' LEU . 12.3 m95 60.65 37.19 19.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.58 -55.53 3.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -60.16 -31.36 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.407 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 14.8 m -65.94 -40.19 91.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -60.58 -38.81 85.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.38 -55.18 14.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.24 73.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.5 -48.73 80.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -32.45 71.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -60.64 -39.21 87.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tt -67.9 -34.28 76.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.07 -41.78 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.6 -22.19 43.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.49 -20.81 26.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.209 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.98 -22.7 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.343 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -46.99 124.78 6.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.23 144.4 35.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.9 OUTLIER -65.34 -28.73 69.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.014 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.11 -63.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 26.8 m -57.02 -22.64 40.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t 43.93 65.18 1.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.985 0.421 . . . . 0.0 111.414 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -169.49 -179.17 3.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 34.9 mm -66.77 75.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.2 -179.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.52 127.09 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.763 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 32.8 tt0 55.19 53.69 9.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 58.0 Cg_endo -71.62 -176.02 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.497 2.131 . . . . 0.0 112.659 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.23 149.42 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.066 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 10.8 m -73.78 -26.96 60.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.401 ' CD2' ' CG2' ' B' ' 75' ' ' VAL . 1.7 tm? 80.88 -51.75 0.31 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.71 -83.37 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.568 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.06 36.8 3.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.396 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 53.0 t -133.41 109.11 9.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.371 . . . . 0.0 110.685 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.1 -25.02 4.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.405 ' O ' ' CE1' ' B' ' 70' ' ' PHE . 12.8 m80 -76.52 118.79 19.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.65 141.43 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -130.56 170.09 14.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.75 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 10.7 m -64.8 172.88 2.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.688 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.5 t -95.36 26.26 3.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -145.54 19.68 1.51 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 5.4 m -129.83 -45.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.153 0.501 . . . . 0.0 110.398 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.401 ' CG2' ' CD2' ' B' ' 63' ' ' LEU . 9.2 p -79.15 -29.37 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.96 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 24.4 p -51.55 -25.25 6.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.293 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.11 24.96 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -165.66 31.5 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.2 mm -82.42 -26.76 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.84 -27.46 36.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.638 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.9 m -108.18 -65.84 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.71 -116.18 0.73 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.42 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 40.0 t -124.39 112.53 27.86 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.54 0.21 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.66 -14.0 40.07 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.483 2.122 . . . . 0.0 112.475 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 12.9 t -80.58 -68.41 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.748 0.308 . . . . 0.0 111.252 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 31.2 p -77.86 -11.11 59.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.375 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 64.9 38.4 6.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 91.4 m -105.17 132.97 20.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.3 143.27 76.37 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.372 2.048 . . . . 0.0 112.254 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.01 120.93 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . 0.412 ' CZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -87.29 -24.67 24.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 pt -108.45 105.89 19.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.59 -41.15 89.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -94.66 151.99 18.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.34 79.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -68.14 160.22 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 27.0 mm -129.24 150.74 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -108.06 94.95 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 22.7 mtt-85 -58.62 -29.52 66.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.07 -59.84 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.6 -36.77 72.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.737 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -63.32 -50.32 70.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.603 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.3 t -61.92 -31.89 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.635 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 4.2 mtp -59.97 -37.0 78.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.732 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 10.1 mt -66.83 -45.89 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.19 -31.94 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.705 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.8 -48.66 79.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.45 -33.06 72.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.9 t -59.76 -39.95 86.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -61.97 -53.52 54.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.86 -36.25 76.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -59.56 -42.77 93.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.91 -34.21 44.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.22 -31.27 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 mt -69.63 -51.06 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -66.64 -74.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -176.21 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 62.38 149.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.09 86.76 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 tp -101.41 152.02 21.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.29 105.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.9 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.836 0.351 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.52 142.57 37.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.3 -175.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.1 m -54.38 -24.87 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.181 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 63.88 19.26 11.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.375 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.32 -28.62 69.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -177.07 47.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.7 t -68.24 -31.04 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.122 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.69 -50.9 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.57 -54.0 51.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.79 -31.15 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -72.03 -33.64 68.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.817 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -72.23 -39.33 68.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.8 t -59.79 -42.0 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.5 mt -68.14 -31.25 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.47 -41.77 60.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.98 -54.2 47.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.7 ptp -57.37 -32.06 66.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.39 -38.59 84.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -62.37 -30.6 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.9 mt -68.44 -29.32 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.44 HD13 ' CD2' ' A' ' 79' ' ' PHE . 3.5 mm? -111.87 32.66 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.31 -168.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.448 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 9.5 t -116.21 138.83 24.53 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.952 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -92.91 11.6 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.943 2.429 . . . . 0.0 113.951 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 pp -139.22 -53.72 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.6 -1.61 24.47 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 58.51 32.03 21.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.514 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 55.8 mt-10 -110.03 123.36 49.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.621 0.248 . . . . 0.0 110.885 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -36.57 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.466 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pp -53.53 113.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.578 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -39.26 13.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.721 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -102.41 89.24 1.63 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.681 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.03 102.09 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.506 2.137 . . . . 0.0 112.401 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 p -116.1 125.55 73.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.3 p -81.58 119.58 23.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.056 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.416 HG23 ' CD1' ' A' ' 43' ' ' PHE . 18.1 p -86.01 162.9 18.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.712 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -47.87 -27.4 2.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.542 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 t -94.04 25.3 3.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.215 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 53.59 46.16 26.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 111.211 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.427 ' CG ' HD12 ' A' ' 63' ' ' LEU . 33.8 m-70 -122.89 154.6 38.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.406 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 39.8 mm -98.1 149.84 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.379 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 28.3 m-85 -149.67 -176.82 5.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.707 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.3 m -100.33 22.66 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.84 -65.47 0.28 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.58 -30.15 60.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 m -57.96 -36.19 72.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.43 -40.84 97.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.33 -55.58 30.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -39.9 95.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.87 -35.97 82.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -78.91 -32.14 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -82.58 -31.0 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -59.6 109.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt 61.24 155.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 132.32 44.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.34 168.31 12.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.29 -173.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.605 2.204 . . . . 0.0 112.395 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -35.89 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 62.56 100.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 t -53.37 108.34 1.08 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.39 4.86 6.25 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.562 2.175 . . . . 0.0 112.919 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.427 HD12 ' CG ' ' A' ' 41' ' ' HIS . 2.1 mp -98.42 -34.03 10.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.714 0.292 . . . . 0.0 111.228 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.8 m -113.39 -81.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.101 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -177.56 63.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.987 0.422 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 64.86 134.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.72 39.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.565 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.9 mt -148.39 163.44 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.87 -58.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.93 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.053 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? -69.32 74.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -176.95 36.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.99 142.04 50.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -151.68 99.98 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.13 100.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.1 p -99.83 156.41 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -103.57 64.76 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -114.73 -44.66 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.725 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CD2' HD13 ' A' ' 22' ' ' LEU . 3.3 m-85 -104.68 31.43 4.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 p -86.32 -58.44 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.78 -31.25 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -59.75 -40.85 89.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.8 t -70.91 -51.57 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.01 -44.31 93.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -58.97 -38.63 79.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -39.56 83.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.83 -41.57 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -64.2 -32.42 73.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.4 mt -72.82 -42.11 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.419 HD12 ' CE2' ' A' ' 101' ' ' TYR . 31.2 mt -74.63 -42.21 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 36.6 m -60.39 -37.64 81.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.414 ' HB3' ' CD2' ' B' ' 36' ' ' HIS . . . -69.77 -36.95 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.3 -51.88 67.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -60.41 -31.17 70.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.77 -31.29 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -104.88 -69.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 32.2 p -65.83 -41.83 91.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 64.34 26.47 70.65 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.548 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.6 mt -82.11 152.38 26.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.744 0.307 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.2 132.89 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.419 ' CE2' HD12 ' A' ' 90' ' ' ILE . 3.2 t80 -98.84 171.46 8.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.08 -69.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.91 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 4.4 ttt . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.818 0.342 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -106.38 152.49 40.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.01 -168.34 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.648 2.232 . . . . 0.0 112.181 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -131.53 -46.65 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.77 152.47 17.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 60.61 -170.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.46 62.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.6 152.03 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.083 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . . . . . . . . . 1.6 m95 61.5 38.24 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.16 -64.35 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -62.92 -31.47 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -69.35 -31.61 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.448 ' NH2' ' CE1' ' B' ' 116' ' ' HIS . 0.1 OUTLIER -66.32 -41.91 88.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -53.5 52.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.81 -32.38 70.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.074 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.9 -46.05 90.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -61.53 -34.88 76.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -60.08 -36.03 76.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.53 -41.42 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.69 -30.35 67.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.79 -22.0 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.57 -25.81 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.081 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.54 -28.77 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.199 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 122.19 8.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.052 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 43.9 t -58.95 156.39 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.45 ' CB ' ' CE2' ' B' ' 70' ' ' PHE . 0.4 OUTLIER -81.86 -36.44 28.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.419 ' HD3' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -94.37 -63.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.786 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.404 ' O ' ' CG2' ' B' ' 54' ' ' THR . 21.7 m -59.81 -19.42 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.222 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 4.7 t 44.32 67.21 0.71 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 111.431 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -177.5 -174.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 33.9 mm -67.96 127.58 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.009 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.85 172.27 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.77 119.17 10.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.741 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 3.6 tt0 57.56 53.34 6.09 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 60.8 Cg_endo -72.74 -168.38 0.4 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.625 2.217 . . . . 0.0 112.458 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 30.9 t -136.51 152.1 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 17.8 p -98.09 125.34 43.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.747 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -67.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.061 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -146.86 -99.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.38 49.22 0.86 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.3 p -122.75 -146.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -114.89 -30.68 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -59.9 123.9 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.16 147.77 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.002 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 1.3 m-85 -140.82 162.73 34.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 13.8 p -71.62 163.01 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.6 t -69.41 70.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -178.98 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 98.0 m -64.28 -46.95 81.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.7 -32.48 20.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.26 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 25.2 t -48.06 -28.49 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.341 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.29 -49.39 64.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 12.3 p -137.36 56.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.427 HG13 ' N ' ' B' ' 80' ' ' GLY . 0.6 OUTLIER -95.62 139.7 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.404 179.813 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . 0.427 ' N ' HG13 ' B' ' 79' ' ' ILE . . . 112.4 -29.65 8.14 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.809 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -75.24 -28.93 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.71 139.66 9.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.401 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 43.8 t -56.45 127.06 71.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.506 0.193 . . . . 0.0 111.047 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.05 -17.62 11.83 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.47 2.113 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.72 -66.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 31.8 p -76.4 -6.6 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.394 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 62.33 34.28 15.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 18.3 m -109.94 138.25 20.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -73.64 144.49 35.67 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.454 2.103 . . . . 0.0 112.372 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.56 95.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.99 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -57.23 -23.29 46.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.268 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.5 pt -102.01 93.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.15 -30.46 69.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -99.22 161.07 13.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.85 72.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -69.37 175.74 3.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 22.2 mm -132.66 158.88 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.188 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -113.57 84.94 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -30.47 66.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.033 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -69.01 -45.44 70.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.29 -32.41 68.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.827 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -61.44 -53.39 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -30.33 71.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -43.42 92.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 4.7 mt -62.64 -49.9 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -30.29 68.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.9 -51.18 42.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -31.4 69.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -65.65 -38.22 88.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -60.44 -50.28 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.95 -35.55 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -58.86 -42.85 90.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -73.96 -31.19 62.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.31 -44.74 51.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 mt -60.35 -50.6 72.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . 0.448 ' CE1' ' NH2' ' B' ' 38' ' ' ARG . 10.8 m-70 -80.31 -31.04 38.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 t0 61.62 153.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -106.04 35.83 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -141.88 89.55 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.1 tt -141.08 -55.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 51.7 m 60.35 85.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.821 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -154.67 29.92 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.444 ' CD2' ' CZ2' ' B' ' 34' ' ' TRP . 0.2 OUTLIER 56.66 32.4 21.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.39 18.57 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.082 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.92 22.64 5.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.739 0.304 . . . . 0.0 111.416 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 pp -87.95 109.42 19.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 56.26 30.66 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.46 -30.78 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.98 -47.44 62.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -58.65 -55.93 28.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 t -58.92 -32.35 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.85 -44.09 97.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -71.91 -34.39 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.42 ' CG1' HD21 ' B' ' 107' ' ' LEU . 39.9 t -59.81 -58.64 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -55.56 -34.2 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -68.37 -35.56 77.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' CD2' ' B' ' 107' ' ' LEU . . . -70.66 -35.66 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.717 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.0 tpp -61.61 -35.72 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.31 -39.75 78.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.412 HD11 ' CD1' ' B' ' 107' ' ' LEU . 55.5 mt -59.08 -42.66 87.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 79' ' ' PHE . 1.2 mp -107.57 40.38 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -92.11 -178.27 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.427 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.8 t -99.27 139.58 21.05 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.436 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 62.4 Cg_endo -92.79 -12.53 1.58 Allowed 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.739 2.293 . . . . 0.0 114.602 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.504 HG13 ' N ' ' A' ' 27' ' ' CYS . 4.0 pt -129.39 -34.95 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.504 ' N ' HG13 ' A' ' 26' ' ' ILE . 21.4 m -98.63 -18.87 17.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.759 0.314 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 2.1 mm? 62.08 26.73 16.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.778 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.7 mm-40 -113.76 127.13 55.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.0 tp -38.91 101.82 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 111.428 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.4 pt -51.72 134.91 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.617 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.19 -38.24 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.634 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -114.53 81.77 7.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.521 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -48.59 137.2 26.4 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.753 2.302 . . . . 0.0 112.781 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.401 ' CG2' ' CD ' ' A' ' 45' ' ' LYS . 4.8 t -138.08 126.31 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.826 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 p -93.99 109.68 21.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.408 ' CG2' ' CD2' ' A' ' 43' ' ' PHE . 5.2 p -75.44 159.68 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HD3' ' CD1' ' B' ' 91' ' ' TRP . 11.4 mmtt -49.55 -26.37 3.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.468 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.7 m -92.63 21.79 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 t0 57.13 53.16 8.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.351 . . . . 0.0 111.18 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' A' ' 39' ' ' CYS . 89.2 m-70 -125.62 147.68 49.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.884 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.403 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 41.7 mm -94.87 152.02 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.066 0.46 . . . . 0.0 111.386 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CE1' ' HG2' ' A' ' 25' ' ' PRO . 71.7 m-85 -157.19 -177.73 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.8 p -116.48 31.72 6.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.795 0.331 . . . . 0.0 110.975 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 3.5 mmmm 69.18 -64.34 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.57 -29.16 2.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.95 -38.06 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.0 mmt -63.89 -31.27 72.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.5 mt -66.79 -58.62 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -64.56 -36.02 82.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tp -70.65 -31.29 68.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.7 mt -79.88 -41.97 25.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -93.42 1.64 56.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.404 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.787 0.327 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -88.73 -78.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -179.98 132.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.91 -155.87 35.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.59 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.68 153.54 5.48 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.663 2.242 . . . . 0.0 112.439 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.61 -169.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.782 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -152.09 99.1 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.004 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.6 t -46.57 104.86 0.43 Allowed Pre-proline 0 CA--C 1.53 0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.236 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.44 -3.69 14.24 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.456 2.104 . . . . 0.0 112.766 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.45 -25.66 17.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.727 0.298 . . . . 0.0 111.302 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 96.1 m -119.86 -81.94 0.64 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.081 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.9 61.62 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.965 0.412 . . . . 0.0 110.756 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 63.97 133.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.2 41.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.6 mt -140.16 159.41 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.263 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.71 -174.24 3.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -67.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.25 93.33 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -160.8 29.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.99 -178.27 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -140.04 86.14 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.46 101.52 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -126.39 166.17 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.7 m -93.22 80.97 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.6 mtm-85 -116.98 -59.05 2.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.423 ' CD2' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -98.96 30.61 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.13 -64.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -59.64 -30.0 68.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' CB ' ' CD2' ' A' ' 22' ' ' LEU . 15.2 mt -63.18 -36.87 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.3 t -71.18 -52.94 23.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.09 -39.47 75.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.48 -42.54 92.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.706 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.36 -47.2 69.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.79 -32.02 68.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -71.55 -34.2 69.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.1 mt -74.49 -43.01 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.972 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.409 HG22 ' CG ' ' A' ' 101' ' ' TYR . 4.8 mt -63.59 -39.63 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -45.52 92.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' HB2' ' CG ' ' B' ' 36' ' ' HIS . . . -59.71 -33.34 71.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.407 ' CE1' HG23 ' A' ' 97' ' ' THR . 17.5 t80 -59.23 -49.14 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -68.88 -27.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.12 -46.88 88.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.083 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -94.73 -65.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.182 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.453 ' HB ' ' CD2' ' A' ' 99' ' ' LEU . 1.8 p -64.97 -58.04 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.732 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.55 14.48 56.89 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.542 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.453 ' CD2' ' HB ' ' A' ' 97' ' ' THR . 3.1 mm? -79.18 151.69 31.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 117.066 0.433 . . . . 0.0 110.846 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.45 168.49 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.409 ' CG ' HG22 ' A' ' 90' ' ' ILE . 55.8 t80 -132.92 163.9 28.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.72 147.95 35.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.851 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.803 0.335 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.421 ' CB ' ' CD ' ' B' ' 28' ' ' PRO . 2.1 mt-10 -178.48 -61.58 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' B' ' 27' ' ' GLU . 58.2 Cg_endo -71.58 133.58 22.56 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.431 2.088 . . . . 0.0 112.351 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.28 151.13 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.69 161.5 54.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.522 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -106.18 149.83 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.7 -151.61 5.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.562 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -162.2 175.15 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . 0.444 ' CZ2' ' CD2' ' A' ' 3' ' ' LEU . 19.5 m95 58.6 28.1 16.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.45 -53.99 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.42 ' CG ' ' HB2' ' A' ' 92' ' ' ALA . 1.5 p80 -62.48 -29.88 70.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.847 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.408 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 24.5 t -66.82 -39.02 87.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -49.41 77.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.811 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.11 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.003 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.37 -41.54 84.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.88 -46.49 87.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.54 -31.39 72.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -67.41 -43.89 80.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 tt -66.03 -37.01 84.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.65 -32.17 73.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -57.92 -26.92 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' B' ' 47' ' ' LEU . 6.7 mp -93.46 16.21 14.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.259 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -131.53 -39.6 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -44.55 111.76 0.34 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.301 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 50.6 t -54.48 154.69 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.61 -37.6 41.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -61.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' THR . 93.5 m -60.9 -19.56 60.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.59 45.01 7.7 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.855 0.359 . . . . 0.0 111.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -157.7 -168.01 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.402 ' CG2' ' CG2' ' B' ' 105' ' ' ILE . 34.5 mm -63.08 146.22 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.76 165.6 15.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.058 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.27 100.36 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.584 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 6.4 tt0 56.15 51.84 6.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 73.9 Cg_endo -75.35 175.4 11.32 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.62 2.213 . . . . 0.0 112.587 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.1 143.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.54 167.47 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.762 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.78 -51.83 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -59.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.96 42.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.421 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 p -120.9 30.64 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.006 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 61.96 19.3 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.16 124.39 50.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 15.5 mt -138.74 142.09 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 1.6 m-85 -147.33 178.1 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 21.9 m -59.73 173.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -42.56 99.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -95.67 19.42 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.234 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.63 -30.8 11.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -104.66 -36.74 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.338 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 37.6 t -41.42 -30.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.851 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -47.96 -44.03 29.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.876 0.37 . . . . 0.0 110.983 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 6.6 m -136.48 12.12 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.103 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.9 133.55 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.402 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.6 -26.51 10.09 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.0 t -94.61 -30.95 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.72 140.25 5.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.42 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.8 t -58.41 116.32 14.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.97 -2.36 12.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.436 2.091 . . . . 0.0 112.698 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 t -103.14 -24.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.774 0.321 . . . . 0.0 111.281 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.06 -19.91 13.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 65.99 49.07 1.66 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 89.9 m -132.58 139.31 34.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.08 149.41 58.45 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.436 2.091 . . . . 0.0 112.317 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.5 145.84 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . 0.408 ' CD1' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -128.15 18.35 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.7 pt -106.76 -37.82 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 70.54 -59.63 0.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.022 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.96 -176.46 5.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.61 72.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 140.79 51.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 25.1 mm -104.78 137.82 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -80.63 87.18 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.792 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -58.96 -30.58 68.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -71.93 -42.5 66.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.42 -34.7 76.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.33 -43.92 98.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.645 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.7 m -63.01 -33.43 75.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.787 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 5.8 mtp -57.86 -44.39 86.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.402 ' CG2' ' CG2' ' B' ' 56' ' ' ILE . 4.0 mt -59.28 -57.17 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.238 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -55.7 -47.57 76.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . 0.442 ' CD2' ' HB1' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -59.03 -43.87 91.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.4 t -58.49 -31.14 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.668 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -36.54 82.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.65 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -58.33 -52.47 65.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.788 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -35.58 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -58.5 -49.07 78.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -64.88 -42.27 94.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.37 -31.75 73.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.68 -37.95 89.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -127.93 106.9 9.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.68 141.62 53.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 -31.44 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -102.55 153.98 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 11.7 tp -130.15 124.05 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.31 81.53 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.817 0.341 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -101.71 99.58 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.417 HD21 ' CH2' ' B' ' 34' ' ' TRP . 1.2 tt -73.84 78.14 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -166.35 30.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 175.66 -34.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.331 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 pp -52.19 -38.54 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.337 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' O ' ' CZ2' ' B' ' 34' ' ' TRP . 2.7 mtt85 -171.88 48.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.416 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 18.7 t -104.8 -42.61 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -61.4 -36.95 81.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -67.49 -49.71 62.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.421 HG13 ' CE1' ' A' ' 93' ' ' PHE . 27.1 t -66.16 -38.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.12 -39.03 84.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -69.12 -32.6 72.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.9 t -68.26 -52.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.413 HG21 ' CE1' ' A' ' 101' ' ' TYR . 4.0 mt -58.2 -26.74 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.35 -36.63 68.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.46 -56.27 6.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.9 ptp -55.48 -28.4 54.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 3.7 tt0 -70.71 -38.25 73.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -62.98 -31.38 72.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.9 mt -64.21 -37.85 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' CD2' ' CE1' ' A' ' 79' ' ' PHE . 4.3 mt -98.77 30.35 3.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.94 -167.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -129.56 137.74 31.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.68 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.61 40.04 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.889 2.392 . . . . 0.0 114.315 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.432 HD13 ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -153.24 -38.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.388 179.134 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.51 -9.46 12.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.994 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 62.02 59.75 1.63 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.818 0.342 . . . . 0.0 110.602 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -155.54 173.12 17.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.165 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.66 -174.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 pt -139.29 94.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -60.35 -51.93 67.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -105.7 84.22 1.17 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.792 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.1 119.06 5.99 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.56 2.173 . . . . 0.0 112.319 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 p -125.04 121.32 60.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.7 p -75.21 115.08 14.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.41 HG22 ' CE1' ' A' ' 43' ' ' PHE . 10.2 p -80.39 164.08 23.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.75 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -28.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.572 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 3.6 m -94.77 26.08 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.25 44.95 29.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.214 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.43 ' CD2' ' HB3' ' A' ' 39' ' ' CYS . 80.3 m-70 -117.85 152.39 35.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.006 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 mm -100.53 137.58 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.258 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.432 ' CE2' HD13 ' A' ' 26' ' ' ILE . 15.7 m-85 -135.69 -179.54 5.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.65 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.8 m -97.3 26.41 4.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.971 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.38 -68.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.59 -29.03 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m -56.78 -30.48 63.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.14 -35.79 61.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.16 -44.74 94.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -39.31 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.23 -30.56 70.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mt -79.9 -30.7 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -89.34 -30.51 18.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -58.92 -31.25 68.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -121.54 142.7 49.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -60.05 130.09 45.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.04 -156.63 50.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -50.89 142.98 31.75 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.655 2.237 . . . . 0.0 112.33 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -175.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -132.59 108.15 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -56.91 109.57 1.8 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.14 -15.02 20.66 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.426 2.084 . . . . 0.0 112.717 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.415 HD22 ' CE1' ' A' ' 41' ' ' HIS . 4.8 mp -79.7 -29.17 40.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.189 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 m -137.21 20.0 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.296 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? 49.95 27.46 2.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.234 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -172.42 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -123.35 101.26 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mt -82.48 158.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.88 -176.71 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -82.4 -31.58 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -98.52 30.76 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -113.72 -33.54 5.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.66 153.18 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -141.54 89.11 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.58 101.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -168.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.5 m -131.85 75.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.53 -37.15 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.765 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.449 ' CE1' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m-85 -121.09 34.11 5.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.811 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -95.24 -59.75 1.82 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -57.58 -30.14 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -34.04 75.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.2 t -72.72 -53.05 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.89 -46.16 90.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.788 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -60.17 -32.55 71.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 19' ' ' GLN . 10.2 tp -64.77 -42.44 95.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 tp -58.78 -36.73 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.608 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -65.38 -32.68 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.503 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.9 mt -73.56 -32.82 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.778 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.3 mt -80.56 -30.35 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.011 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.63 -44.31 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.415 ' HB3' ' CG ' ' B' ' 36' ' ' HIS . . . -69.47 -37.18 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.421 ' CE1' HG13 ' A' ' 11' ' ' VAL . 58.9 t80 -58.91 -60.7 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -26.95 44.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -54.04 51.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -100.55 32.98 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.7 p -157.56 123.96 4.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.61 11.19 53.33 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.697 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' A' ' 99' ' ' LEU . 3.4 mp -88.8 -25.97 21.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.933 0.397 . . . . 0.0 110.827 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 53.74 173.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.446 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.413 ' CE1' HG21 ' A' ' 15' ' ' ILE . 4.3 t80 -74.77 -66.55 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -175.35 156.35 2.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.3 m120 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.964 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 11.1 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.832 0.348 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.75 155.96 66.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.16 -177.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -152.1 -58.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.77 70.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.92 119.56 39.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 158.19 165.82 16.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.88 141.88 35.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.849 0.357 . . . . 0.0 111.031 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . 0.417 ' CH2' HD21 ' A' ' 3' ' ' LEU . 18.8 m95 60.81 31.69 20.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.27 -53.33 4.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.415 ' CG ' ' HB3' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -61.77 -31.22 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.0 m -75.64 -31.3 59.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -59.94 -46.07 90.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.76 -46.53 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.98 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.16 -51.5 69.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -35.02 74.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -58.96 -34.16 71.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 tt -78.15 -34.56 49.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.3 -27.94 66.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -31.74 62.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.13 -30.7 34.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.796 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.24 -21.69 31.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.87 114.84 7.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 49.9 t -59.55 156.98 12.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.73 -32.05 17.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.88 -63.34 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 61.1 m -67.28 -14.27 62.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.339 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.3 t 44.59 50.09 8.41 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.979 0.418 . . . . 0.0 111.383 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -149.61 -177.07 5.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.771 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.6 123.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.004 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.69 141.58 52.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.31 104.32 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.5 ' N ' ' HD3' ' B' ' 60' ' ' PRO . 0.4 OUTLIER 51.12 62.15 11.88 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.471 -179.333 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.5 ' HD3' ' N ' ' B' ' 59' ' ' GLU . 2.1 Cg_endo -82.76 -164.88 0.29 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.039 2.492 . . . . 0.0 112.641 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.426 ' CG1' ' HB ' ' B' ' 75' ' ' VAL . 7.7 p -156.94 158.7 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 20.6 p -83.45 133.96 34.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -36.3 75.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.18 -54.81 0.19 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.92 42.47 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.554 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.85 -52.49 2.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.693 0.282 . . . . 0.0 111.065 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 164.86 -29.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -64.57 141.51 58.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.407 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . 0.406 ' O ' ' CD1' ' B' ' 70' ' ' PHE . 6.4 mt -151.04 134.58 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.439 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' B' ' 69' ' ' ILE . 3.8 m-85 -151.54 173.38 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.943 0.402 . . . . 0.0 111.145 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' B' ' 60' ' ' PRO . 10.0 p -65.57 159.8 23.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.734 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -50.96 -26.13 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.379 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.27 17.65 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.418 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 25.0 m -145.07 19.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.245 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.426 ' HB ' ' CG1' ' B' ' 61' ' ' VAL . 21.2 t -134.66 32.49 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.166 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 34.3 t -122.45 -35.99 3.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.216 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -57.88 118.41 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 111.115 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 3.2 m 61.76 30.48 18.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.9 mm -108.54 158.74 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.989 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.14 -26.41 24.72 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.953 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -105.53 -28.25 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 0.0 110.609 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.75 139.01 3.76 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.469 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.47 134.97 93.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.572 0.225 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.52 -22.05 6.97 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.669 2.246 . . . . 0.0 112.627 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.89 -67.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.293 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 13.8 m -71.38 -15.0 62.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.228 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 63.19 27.19 15.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.808 0.337 . . . . 0.0 110.752 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 87.8 m -102.95 123.17 43.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.33 142.92 45.52 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.465 2.11 . . . . 0.0 112.281 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.71 80.57 8.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -23.89 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.306 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -45.43 93.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.307 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.15 -63.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.03 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.81 172.54 10.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 tp -102.04 72.84 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.13 -173.65 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.733 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 17.8 mm -133.74 147.68 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 111.251 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -92.63 85.18 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.572 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -51.38 -28.84 13.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.357 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -70.06 -41.87 73.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.689 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 11.6 mt -72.67 -34.23 67.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.603 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.63 -59.39 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.766 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -29.59 67.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 28.4 tpp -64.46 -44.0 92.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 4.8 mt -56.59 -54.44 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -29.98 69.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.669 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -50.66 72.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -35.5 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 41.5 m -59.94 -33.71 72.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -46.06 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.88 -39.11 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -47.73 76.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -58.74 -31.37 68.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 10.9 mt -76.55 -30.48 57.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.96 -67.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -76.23 91.26 3.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.217 0.532 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -99.51 145.31 27.62 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 28.8 t30 60.35 78.89 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -140.69 133.2 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 50.1 tp -166.92 -48.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 -66.83 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.811 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ttp . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.796 0.331 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.49 148.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.421 HD23 ' CE2' ' B' ' 34' ' ' TRP . 10.9 mp -82.94 59.21 4.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m 66.6 11.52 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.504 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.42 23.71 3.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.588 0.232 . . . . 0.0 111.534 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -29.99 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.998 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -173.81 35.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.034 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.5 -51.69 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -60.17 -30.6 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -63.82 -60.71 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.27 -38.89 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -59.45 -39.12 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.89 -31.12 68.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -71.76 -49.11 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.5 mt -55.86 -33.23 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -63.23 -54.5 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.506 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.7 71.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 tpp -61.06 -34.64 75.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.568 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -71.03 -30.47 66.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.717 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -57.15 -38.3 73.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.9 mp -68.24 -37.97 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.658 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 HD12 ' CE2' ' A' ' 79' ' ' PHE . 3.8 mm? -98.68 31.47 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.69 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -95.87 -167.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.434 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 13.9 t -113.15 138.65 22.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.854 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -93.48 14.67 1.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.975 2.45 . . . . 0.0 114.191 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -141.66 -41.32 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.7 p -123.53 4.91 8.97 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.68 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.6 mm? 54.27 29.83 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.741 -0.208 . . . . 0.0 111.412 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 73.0 mm-40 -101.13 118.84 37.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.581 0.229 . . . . 0.0 110.732 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 tp -39.96 99.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.943 0.401 . . . . 0.0 111.299 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 31' ' ' ILE . 18.5 pt -52.17 129.54 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.539 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -104.48 -35.7 7.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.627 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.41 81.04 6.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.516 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -47.94 114.7 1.19 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.619 2.213 . . . . 0.0 112.701 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -117.24 121.93 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 14.1 p -86.34 119.99 27.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.408 HG21 ' CE1' ' A' ' 43' ' ' PHE . 3.2 p -88.27 154.06 20.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.679 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -52.6 -22.93 5.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.714 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.8 m -90.9 22.85 3.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.63 0.252 . . . . 0.0 111.413 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.54 62.8 2.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 111.285 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' A' ' 39' ' ' CYS . 93.3 m-70 -140.29 -175.77 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.6 mm -133.1 141.82 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.42 ' CD1' ' HE3' ' A' ' 48' ' ' MET . 33.0 m-85 -144.8 -177.82 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 m -99.63 25.76 6.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.97 -66.77 0.24 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.18 -29.3 65.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.5 m -57.88 -43.54 86.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.42 ' HE3' ' CD1' ' A' ' 43' ' ' PHE . 4.8 mmt -63.95 -33.07 74.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.58 -47.37 78.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -70.5 -34.53 72.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tp -63.3 -31.22 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mt -78.97 -30.86 44.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -89.88 -21.47 22.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.169 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -67.88 0.22 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -98.72 24.62 7.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp 60.23 156.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.99 -156.64 12.99 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.586 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.77 151.99 14.13 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.557 2.171 . . . . 0.0 112.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.83 174.82 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -128.93 113.75 15.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.4 t -59.34 110.22 2.54 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.45 -13.79 27.77 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.441 2.094 . . . . 0.0 112.755 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.422 ' CD2' ' ND1' ' A' ' 41' ' ' HIS . 6.7 mp -74.6 -32.84 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.156 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.0 p -142.47 24.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.198 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 50.77 30.93 5.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.379 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -79.32 -169.27 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.27 104.75 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.2 mt -88.74 158.46 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.78 -176.92 4.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.4 167.87 11.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.02 29.91 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -124.66 -40.7 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.38 148.78 22.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -149.76 118.12 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.95 145.33 41.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.6 t -149.4 150.16 31.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.3 m -94.49 -0.64 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.258 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -51.61 -60.1 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.727 0.299 . . . . 0.0 111.183 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.417 ' CE2' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -98.0 37.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.819 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.9 t -100.93 -63.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -56.53 -31.77 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mt -63.68 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.6 t -80.85 -43.55 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.029 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.31 -44.39 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.26 -44.87 88.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 tp -57.44 -48.06 80.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 mt -53.75 -30.38 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -76.01 -31.74 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.725 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.5 mt -66.25 -36.86 78.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.1 mt -72.28 -34.93 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.06 -49.94 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.408 ' HB3' ' CG ' ' B' ' 36' ' ' HIS . . . -59.75 -36.47 76.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CZ ' HG22 ' A' ' 97' ' ' THR . 40.4 t80 -57.36 -50.49 72.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -66.19 -28.02 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -39.58 79.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.47 -59.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.418 HG22 ' CZ ' ' A' ' 93' ' ' PHE . 12.6 p -59.17 -48.99 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.83 28.27 57.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.544 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.8 mt -105.14 156.11 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -63.12 -174.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -131.66 -67.75 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.62 32.09 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.097 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.874 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 4.2 mmm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.84 0.352 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -151.01 85.46 5.1 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.19 -178.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.603 2.202 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -136.32 161.78 34.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.53 -67.54 1.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.52 120.05 20.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.56 71.61 2.76 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.558 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.17 168.18 9.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . 0.421 ' CE2' HD23 ' A' ' 3' ' ' LEU . 21.2 m95 60.71 37.42 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.82 -51.93 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.408 ' CG ' ' HB3' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -59.79 -31.47 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.4 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 58.4 m -75.31 -31.43 60.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 13.3 ttp85 -60.26 -47.53 85.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.17 88.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.75 -37.04 73.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.13 -45.96 89.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.7 -33.81 76.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -60.86 -32.52 71.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 tt -74.68 -34.38 62.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.32 -24.4 66.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -54.3 -29.57 47.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.8 -27.09 17.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.94 -31.25 35.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -56.92 127.63 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -59.94 151.54 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.424 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -76.82 -29.39 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -57.74 2.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.409 ' O ' ' CG2' ' B' ' 54' ' ' THR . 23.7 m -65.43 -15.94 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.337 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 10.2 t 44.75 52.07 8.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.953 0.406 . . . . 0.0 111.349 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -170.42 -175.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.778 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 38.2 mm -60.1 136.26 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.419 ' CD1' ' CD1' ' B' ' 105' ' ' ILE . 0.2 OUTLIER -115.84 161.11 19.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -132.06 114.13 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.682 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 1.2 tt0 60.47 53.76 3.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 53.6 Cg_endo -69.4 -168.19 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.633 2.222 . . . . 0.0 112.503 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 15.2 t -135.0 141.73 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 22.2 p -84.26 122.32 28.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.407 ' CD2' ' CG2' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -59.98 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.55 -53.72 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.11 42.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 p -124.14 28.85 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 65.36 14.47 9.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.536 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.68 119.0 38.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.95 144.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -149.54 170.52 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.733 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 11.1 m -65.62 -175.56 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.4 23.72 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -149.06 20.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.185 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 5.0 m -134.0 -46.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.407 ' CG2' ' CD2' ' B' ' 63' ' ' LEU . 11.3 p -57.81 -28.36 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.279 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 29.2 t -63.49 80.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -150.97 -46.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 4.8 p -130.08 37.26 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.9 mm -77.83 141.46 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.24 -27.2 17.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.433 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.6 t -101.33 -31.19 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.99 140.3 7.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -55.29 115.81 10.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.558 0.218 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.1 -6.72 19.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.425 2.083 . . . . 0.0 112.565 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 23.1 t -98.69 -25.4 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 9.6 m -106.59 -24.38 12.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 65.87 42.73 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 78.8 m -133.33 142.14 43.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.03 145.91 39.85 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.513 2.142 . . . . 0.0 112.279 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.23 -27.25 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER 58.59 19.93 7.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.304 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 pt -158.93 127.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -91.22 -33.21 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.72 172.98 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.87 83.73 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -178.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 26.6 mm -128.99 157.01 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.26 94.11 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.796 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -69.55 -58.85 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -59.49 -46.05 89.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -49.12 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.811 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -62.5 -42.95 99.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.3 m -56.18 -32.16 64.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.696 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 11.3 mtp -74.2 -28.88 61.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.699 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.419 ' CD1' ' CD1' ' B' ' 57' ' ' LEU . 35.0 mm -59.01 -60.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -61.17 -37.1 81.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -56.68 19.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 50.0 t -56.93 -30.92 64.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -59.3 -38.5 80.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.651 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.43 -48.48 72.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.742 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.68 -39.38 84.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -57.27 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -59.97 -31.26 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 20.6 mt -71.65 -56.66 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.03 -32.79 71.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -85.11 -74.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -174.93 137.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -143.34 115.11 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -131.99 103.29 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.3 tp -131.62 35.46 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 15.6 p -130.26 127.65 39.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.871 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 ttp . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.805 0.336 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -106.31 32.49 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.47 -169.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.7 m -64.08 -23.31 67.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 63.65 19.92 11.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.299 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -71.64 -35.01 70.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -164.81 48.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 22.6 t -75.58 -31.12 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.24 -36.1 63.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -67.76 -42.92 81.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.67 -40.8 90.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HG3' ' CE2' ' A' ' 93' ' ' PHE . 18.9 mt-30 -61.26 -31.55 71.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.01 -41.02 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.98 -41.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.8 mt -69.58 -32.55 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -75.89 -33.27 59.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.87 -53.26 28.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 ptp -56.58 -36.5 69.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.23 -38.57 87.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.745 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -60.57 -31.74 70.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.68 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.3 mt -65.25 -27.42 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.431 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.7 mm? -105.42 32.49 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.692 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -90.53 -170.0 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.421 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 15.2 t -113.02 138.44 22.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.821 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -93.45 15.14 1.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 123.018 2.479 . . . . 0.0 114.142 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pp -141.02 -39.19 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.4 p -128.31 8.03 5.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.603 0.24 . . . . 0.0 111.64 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 52.57 28.25 5.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.646 0.26 . . . . 0.0 111.383 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 93.3 mt-10 -97.28 115.33 27.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.712 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 tp -38.5 98.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.05 0.453 . . . . 0.0 111.315 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.0 pt -50.75 136.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.585 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -113.06 -31.83 6.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -114.46 86.78 12.84 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.27 115.88 2.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.614 2.209 . . . . 0.0 112.39 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -129.53 119.2 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 p -78.02 126.16 30.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.424 HG21 ' CD1' ' A' ' 43' ' ' PHE . 8.2 p -92.31 162.69 14.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.488 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -48.53 -27.08 2.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.401 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 t -94.52 24.45 4.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 55.04 47.24 22.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.282 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.408 ' ND1' ' CD2' ' A' ' 63' ' ' LEU . 44.6 m-70 -124.98 153.69 42.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.9 mm -96.5 149.47 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.364 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.424 ' CD1' HG21 ' A' ' 37' ' ' THR . 15.6 m-85 -146.53 -177.26 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.683 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 m -99.85 20.44 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.73 -66.35 0.24 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.828 0.347 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -27.68 63.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.1 m -55.35 -40.07 70.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.6 mmt -66.14 -40.04 90.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.98 -43.62 91.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -85.04 -30.69 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -73.19 -38.47 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -30.47 64.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.709 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' LYS . 36.6 m-20 -88.97 -75.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.647 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.04 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' ASN . 6.6 mttt -177.03 -39.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.849 0.357 . . . . 0.0 110.795 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -165.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.92 -152.67 1.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.715 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HB3' ' CG2' ' A' ' 69' ' ' THR . 99.5 Cg_exo -43.4 151.26 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.021 2.481 . . . . 0.0 112.758 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.68 157.86 33.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -143.94 138.64 28.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -55.43 108.81 1.29 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.76 -4.77 15.97 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.436 2.09 . . . . 0.0 112.715 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.419 HD11 ' CE1' ' A' ' 43' ' ' PHE . 4.3 mp -85.24 -28.76 25.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.226 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.0 m -132.67 -82.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 pttp 170.49 41.55 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -96.27 -174.96 3.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -130.94 104.98 7.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.9 mt -99.88 135.71 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.726 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' A' ' 58' ' ' PRO . 16.7 p -152.17 62.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.091 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt 60.46 155.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 53.52 25.25 4.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.2 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -115.09 -32.5 5.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mp -84.42 171.16 12.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.17 89.63 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.784 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 132.11 51.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.24 -175.9 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.4 m -115.96 77.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -118.83 -54.81 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.431 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.6 m-85 -99.04 32.11 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.797 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.1 t -88.79 -61.51 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -59.62 -35.07 73.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.4 mt -57.79 -35.03 70.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.1 t -78.25 -54.8 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.66 -42.99 98.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -57.84 -44.57 86.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -41.3 66.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.07 -35.68 77.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -69.8 -37.85 76.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.0 mt -70.16 -42.99 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.412 HG12 ' CE2' ' A' ' 101' ' ' TYR . 15.0 mt -68.77 -30.72 48.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.997 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.0 m -69.01 -36.86 78.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.416 ' HB2' ' CD2' ' B' ' 36' ' ' HIS . . . -66.42 -37.66 85.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.415 ' CZ ' HG11 ' A' ' 8' ' ' VAL . 4.0 t80 -59.69 -55.95 27.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -28.96 67.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.76 -41.66 87.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.996 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -100.35 -68.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.3 p -60.31 -45.72 92.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.71 29.57 75.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.559 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.28 -178.57 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.55 140.98 29.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.412 ' CE2' HG12 ' A' ' 90' ' ' ILE . 15.8 t80 -131.64 -63.68 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.48 -58.97 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 p30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.971 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.415 ' CB ' ' CD ' ' B' ' 28' ' ' PRO . 0.9 OUTLIER -178.21 -61.67 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' B' ' 27' ' ' GLU . 58.0 Cg_endo -71.45 126.77 12.52 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.444 2.096 . . . . 0.0 112.351 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -106.39 -37.19 6.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.07 -106.41 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -130.88 136.91 49.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.7 29.21 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.36 166.19 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . . . . . . . . . 10.9 m95 61.32 30.21 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.16 -56.47 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.04 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.45 -30.68 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 41.3 t -67.53 -36.53 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -60.2 -58.04 10.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.23 68.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.64 80.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.26 -43.61 92.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.72 -39.94 90.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -59.56 -53.05 62.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.05 -36.58 75.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.47 -28.21 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -56.95 -31.19 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.89 -30.28 40.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.44 -22.82 24.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 114.74 1.6 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 45.0 t -59.96 156.75 13.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.417 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.4 OUTLIER -82.64 -34.47 27.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -57.41 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.402 ' O ' ' CG2' ' B' ' 54' ' ' THR . 66.9 m -65.27 -15.55 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.277 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.2 t 44.68 41.41 4.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.914 0.388 . . . . 0.0 111.332 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -163.33 -173.94 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -62.16 128.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.26 168.67 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.35 105.12 8.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.426 ' N ' ' HD3' ' B' ' 60' ' ' PRO . 9.9 tt0 56.89 63.63 5.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.003 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' B' ' 59' ' ' GLU . 26.6 Cg_exo -62.53 -161.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.585 2.19 . . . . 0.0 112.29 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 36.5 t -149.65 137.39 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 75.3 m -61.46 161.32 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.18 -65.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.28 -67.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -155.03 32.99 0.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.38 -146.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -117.9 -27.39 6.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.637 0.256 . . . . 0.0 111.308 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.404 ' CE1' HG12 ' B' ' 85' ' ' VAL . 32.7 m80 -56.05 127.0 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.376 . . . . 0.0 111.174 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 1.3 mp -127.7 155.05 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.3 OUTLIER -147.44 166.5 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 15.1 m -60.98 159.92 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -55.66 -26.08 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -112.73 22.52 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.3 m -124.49 -44.41 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.768 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 12.0 p -58.37 -30.82 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.5 p -63.12 80.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.67 -61.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 11.1 m -126.51 39.98 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.765 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mm -74.25 -26.69 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.98 -27.3 50.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.9 m -115.7 -66.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.69 -128.98 1.32 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.4 t -115.96 134.75 22.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.63 0.253 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.36 -21.02 9.28 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.592 2.195 . . . . 0.0 112.644 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.404 HG12 ' CE1' ' B' ' 68' ' ' HIS . 21.5 t -87.3 -68.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.332 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 55.5 m -71.23 -13.45 61.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.299 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 62.41 28.27 16.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.776 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -93.54 138.97 22.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.7 143.4 67.73 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.463 2.109 . . . . 0.0 112.224 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.77 85.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -59.17 -23.87 62.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 pt -104.43 107.3 22.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.98 -31.5 68.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.11 -176.21 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 52.9 mt -97.97 89.89 4.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -77.14 137.59 38.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 28.3 mm -86.8 141.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.221 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -96.67 94.7 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -58.46 -30.49 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -75.87 -55.58 5.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.53 -33.51 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.731 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.39 -53.48 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.636 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.9 m -61.61 -30.59 70.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.691 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 1.4 mtp -59.4 -38.6 80.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 6.9 mt -66.46 -50.84 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -60.28 -31.74 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.78 -53.13 55.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 32.8 m -59.52 -31.36 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.787 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 32.5 t -63.97 -35.17 79.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.774 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -64.72 -46.82 80.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.0 -35.72 73.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -60.03 -41.82 93.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -69.58 -42.11 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mt -66.1 -41.29 90.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.11 -31.22 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -134.64 110.53 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -128.64 171.27 12.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -107.03 -170.07 1.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -129.21 33.48 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.34 156.09 20.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 1.4 t -157.89 128.19 6.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.922 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.777 0.323 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -103.01 36.54 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.59 86.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 t -175.87 37.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.67 -40.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.78 74.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 59.87 76.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.12 -42.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -64.76 -31.39 72.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.79 -48.26 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.74 -32.53 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -47.95 83.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.51 -31.74 70.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 t -70.79 -58.42 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.61 -31.45 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -71.55 -48.56 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.83 72.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.8 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.4 ttm -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.778 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.91 -40.33 88.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.77 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -59.72 -32.63 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.7 mt -67.53 -31.99 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.833 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' CD1' ' CD2' ' A' ' 79' ' ' PHE . 3.2 mm? -107.41 30.24 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.578 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.09 -166.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.047 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.426 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 14.2 t -112.92 138.69 22.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.942 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -93.3 16.15 1.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.882 2.388 . . . . 0.0 114.076 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.98 -39.26 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.3 p -128.21 9.05 6.14 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 51.08 29.05 4.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.652 0.263 . . . . 0.0 111.391 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 26.9 mm-40 -96.19 118.62 33.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.818 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.9 tp -39.14 98.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.004 0.43 . . . . 0.0 111.303 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 31' ' ' ILE . 1.2 pp -51.93 113.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.825 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -89.35 -43.42 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -101.62 90.87 1.96 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.528 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HG3' ' CA ' ' A' ' 80' ' ' SER . 27.8 Cg_endo -62.6 113.05 1.79 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.533 2.155 . . . . 0.0 112.564 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -127.47 159.02 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.64 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 p -110.39 127.78 55.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.093 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.425 HG23 ' CD1' ' A' ' 43' ' ' PHE . 19.7 p -92.31 158.09 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -52.42 -23.12 5.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.654 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.2 t -91.0 24.23 2.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 111.342 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 54.7 40.89 32.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.774 0.321 . . . . 0.0 111.037 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -122.98 -179.71 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.2 mm -120.64 147.54 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.492 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CD1' HG23 ' A' ' 37' ' ' THR . 28.7 m-85 -146.47 -177.45 5.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.65 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.7 m -100.05 24.87 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.043 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tpmp? 68.82 -66.23 0.25 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.416 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 1.5 t80 -58.75 -29.91 67.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.8 m -57.63 -33.96 68.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 mmt -67.47 -39.57 85.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.49 -53.95 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -60.99 -44.91 96.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -31.51 70.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.3 mt -73.77 -49.34 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -62.91 -41.13 99.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -60.23 148.31 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? 61.69 153.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 106.78 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.69 -179.0 17.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.17 176.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.593 2.195 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.98 158.98 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -114.31 114.26 25.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.7 t -56.16 109.28 1.56 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.02 -7.82 22.26 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.492 2.128 . . . . 0.0 112.713 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 mp -84.55 -28.46 26.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.697 0.284 . . . . 0.0 111.212 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.8 m -145.87 25.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt 50.38 27.31 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.222 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -167.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -135.72 108.02 7.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 mp -95.61 157.87 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.46 145.61 45.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.76 83.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -179.84 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -96.3 37.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.48 110.99 21.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -119.04 113.47 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -62.93 101.17 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.3 m -95.56 124.7 39.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.8 m -83.65 58.22 4.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.9 ptt-85 -112.0 -30.64 7.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD2' ' CD1' ' A' ' 22' ' ' LEU . 2.5 m-85 -106.82 28.66 7.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.401 ' CA ' ' HG3' ' A' ' 34' ' ' PRO . 10.0 t -89.22 -62.46 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -58.05 -31.23 66.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.789 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.96 -56.49 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.3 t -59.39 -52.02 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -60.9 -35.54 76.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.65 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.42 -43.18 88.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.47 -44.08 84.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.574 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.84 -30.11 65.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -84.03 -44.2 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.9 mt -63.15 -38.36 81.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.421 HG12 ' CZ ' ' A' ' 101' ' ' TYR . 8.2 mt -72.86 -40.51 60.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.024 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.6 -42.51 96.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.2 91.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.088 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.404 ' CD1' HG21 ' A' ' 97' ' ' THR . 65.1 t80 -59.45 -51.82 68.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.89 -30.04 69.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.988 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 mt -59.16 -31.67 69.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -110.13 -68.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.404 HG21 ' CD1' ' A' ' 93' ' ' PHE . 17.4 p -60.23 -40.23 89.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.18 28.16 73.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 mp -92.86 163.27 13.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.17 166.79 9.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.421 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 29.6 t80 -124.82 -67.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -173.02 123.39 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.911 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.781 0.324 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.403 ' CB ' ' CD ' ' B' ' 28' ' ' PRO . 0.3 OUTLIER -69.39 -60.75 3.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' B' ' 27' ' ' GLU . 59.4 Cg_endo -72.25 178.13 6.43 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.524 2.149 . . . . 0.0 112.311 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -134.76 156.24 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.43 44.37 2.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 60.38 169.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.92 54.97 0.59 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -164.75 168.5 17.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . . . . . . . . . 20.5 m95 60.57 36.19 19.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.64 -55.93 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -30.82 69.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 32.5 t -67.73 -39.67 84.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ttm105 -62.16 -34.42 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.55 -55.41 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.8 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.77 -56.01 27.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.62 -33.99 72.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 61.3 mtt-85 -59.21 -40.8 86.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 tt -72.04 -31.2 65.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -62.81 -28.44 70.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.02 -30.48 59.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.05 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.98 -29.98 39.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.32 -28.45 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.8 121.11 8.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 47.0 t -65.51 156.87 31.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.4 m -77.5 -34.14 54.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.79 -57.48 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.416 ' O ' ' CG2' ' B' ' 54' ' ' THR . 8.6 m -60.57 -19.1 56.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.7 t 45.03 54.32 7.03 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.987 0.422 . . . . 0.0 111.392 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -177.96 -173.53 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.681 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.58 143.83 12.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.8 152.95 41.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.04 124.55 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.657 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.427 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 5.0 tt0 54.07 52.51 9.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.665 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 72.9 Cg_endo -75.78 -178.92 4.67 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.653 2.236 . . . . 0.0 112.603 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 28.3 t -131.01 145.58 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.792 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 14.9 m -57.97 -97.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 75.53 -53.5 0.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.91 0.386 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.41 71.08 1.57 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.65 -36.89 40.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.307 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.93 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.524 0.202 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -157.24 23.67 0.3 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.68 0.276 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.42 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 14.5 m170 -116.63 158.94 22.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 111.104 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 mt -148.11 147.95 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.806 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -143.35 175.99 9.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 11.8 m -74.33 -177.05 2.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -38.12 68.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.6 19.11 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.244 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.82 -51.88 4.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.988 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.427 ' CG2' ' CD1' ' B' ' 79' ' ' ILE . 27.5 m -81.83 -27.65 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.356 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 69.0 m -46.87 -28.19 1.5 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.367 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -55.34 -27.27 46.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.21 82.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.427 ' CD1' ' CG2' ' B' ' 75' ' ' VAL . 33.1 mm -76.61 -34.35 23.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.47 -24.8 25.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.39 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 75.7 m -83.36 -75.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.715 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.97 -113.54 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.399 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.8 t -108.08 134.43 20.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.553 0.216 . . . . 0.0 110.839 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -78.45 -12.24 15.51 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.55 2.166 . . . . 0.0 112.926 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.42 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 19.8 t -107.78 -67.71 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.891 0.377 . . . . 0.0 111.363 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 87.6 m -64.77 -15.33 61.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.238 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 64.86 19.79 11.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 90.2 m -83.61 139.66 41.03 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.739 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.48 144.89 62.85 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.457 2.104 . . . . 0.0 112.183 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.49 97.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -23.1 50.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 pt -108.78 110.09 30.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.1 -31.71 69.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.84 -170.61 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 tp -105.8 86.22 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.21 171.82 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 25.8 mm -129.95 139.09 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.195 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -93.88 83.35 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.766 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.07 -30.46 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -74.61 -51.94 13.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.56 -34.34 72.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.99 -44.42 96.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.733 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 15.9 t -58.15 -32.8 68.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.651 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 6.7 mtp -67.88 -33.37 74.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.702 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 20.6 mm -60.17 -48.45 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.764 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -31.12 61.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.93 -51.6 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -32.16 70.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 6.2 t -69.37 -31.46 69.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -63.93 -46.75 83.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.2 -41.96 89.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.28 -41.12 92.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -72.15 -41.82 66.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.3 -33.6 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.26 -34.42 55.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.26 -74.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.46 170.13 15.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -106.55 -41.43 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.94 89.69 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 10.1 tp -80.91 127.71 32.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 1.9 m -147.78 -59.21 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.885 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.834 0.35 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.61 31.36 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.444 ' CD2' ' CH2' ' B' ' 34' ' ' TRP . 0.9 OUTLIER 58.14 30.67 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 m 61.56 17.86 8.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.243 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.58 22.29 5.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.473 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 pp -82.19 106.4 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 48.76 28.98 2.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.289 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.21 -30.61 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.121 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -31.55 64.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.27 -42.5 96.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.42 HG13 ' CE1' ' A' ' 93' ' ' PHE . 21.5 t -60.74 -38.4 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -40.08 86.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.21 -40.83 91.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 t -70.39 -41.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.406 HG21 ' CE1' ' A' ' 101' ' ' TYR . 10.5 mt -67.59 -31.9 54.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.86 -52.57 19.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.19 80.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.9 ttm -58.37 -42.87 87.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -63.36 -36.64 84.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -60.17 -40.72 90.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mt -63.52 -29.79 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.872 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.458 ' CD2' ' CE1' ' A' ' 79' ' ' PHE . 4.2 mt -110.44 30.39 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.592 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -92.59 -165.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 11.3 t -111.37 138.49 21.38 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -93.04 12.94 1.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.909 2.406 . . . . 0.0 114.044 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -141.4 -53.64 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.16 -1.66 25.2 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 57.5 33.05 22.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.473 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 14.6 mm-40 -109.66 126.38 53.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.621 0.248 . . . . 0.0 110.727 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.4 tp -40.05 98.03 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.027 0.441 . . . . 0.0 111.248 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.5 pt -47.8 137.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.778 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.87 -38.13 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.623 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -114.09 81.25 6.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.551 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.14 101.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.695 2.263 . . . . 0.0 112.732 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.1 120.85 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.762 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 t -89.06 108.4 19.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.12 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.418 HG21 ' CE1' ' A' ' 43' ' ' PHE . 63.6 p -78.88 162.72 25.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -47.12 -28.15 1.67 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.931 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.6 m -91.43 21.21 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 111.421 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 t70 56.2 54.65 7.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.824 0.345 . . . . 0.0 111.307 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.453 ' CD2' ' HB3' ' A' ' 39' ' ' CYS . 92.5 m-70 -126.8 142.15 51.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.408 HG13 ' CD2' ' A' ' 79' ' ' PHE . 38.5 mm -91.58 129.83 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.333 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' CE1' HG21 ' A' ' 37' ' ' THR . 25.5 m-85 -128.19 -176.62 3.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.17 23.78 12.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.943 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tptm 69.3 -65.58 0.29 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.094 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CD2' ' HE2' ' A' ' 50' ' ' LYS . 15.6 t80 -58.19 -28.69 65.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.7 m -56.92 -39.81 75.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.058 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.8 mmm -67.42 -33.2 74.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.9 mp -63.89 -53.77 45.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.709 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HE2' ' CD2' ' A' ' 46' ' ' PHE . 43.6 mtmt -66.85 -37.52 84.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.757 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 tp -60.98 -37.25 81.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.7 mt -80.08 -31.27 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.776 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -60.41 -53.43 57.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -75.9 63.88 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.78 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 tptt 179.57 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.968 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.88 19.55 10.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.079 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.24 -163.64 13.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.05 130.51 35.24 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.48 2.12 . . . . 0.0 112.283 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.77 170.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.22 103.26 5.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.1 t -47.2 108.99 0.96 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.441 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.9 -3.92 14.49 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.369 2.046 . . . . 0.0 112.407 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.427 ' CD2' ' ND1' ' A' ' 41' ' ' HIS . 1.8 mp -83.28 -34.81 25.68 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.089 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 p -116.74 -54.87 2.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.984 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 pttp 172.63 -35.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.031 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 166.96 137.5 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.4 41.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.941 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.4 mt -144.27 153.6 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.077 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 p -127.58 -178.42 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -60.1 -32.2 70.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -135.91 91.51 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 m -163.56 31.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 mt -91.48 172.01 8.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -135.08 85.96 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.25 103.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.57 -175.98 4.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 78.5 m -151.9 79.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -117.89 -43.65 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.458 ' CE1' ' CD2' ' A' ' 22' ' ' LEU . 5.3 m-85 -86.04 -11.28 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.372 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.97 -51.4 66.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.831 0.348 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -65.46 -31.42 72.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 79' ' ' PHE . 2.2 mt -73.98 -32.75 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.0 t -77.01 -39.03 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -73.66 -47.74 37.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -58.11 -40.68 81.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.0 tp -58.5 -45.42 88.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.0 mt -55.97 -32.68 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.729 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -72.22 -34.15 68.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.706 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 56.2 mt -67.29 -36.6 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.421 HG12 ' CZ ' ' A' ' 101' ' ' TYR . 4.7 mt -71.21 -43.13 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 89.7 m -60.11 -44.62 94.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.84 74.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.42 ' CE1' HG13 ' A' ' 11' ' ' VAL . 6.8 t80 -59.65 -53.73 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.57 -29.81 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.96 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -44.78 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -95.71 -68.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.3 p -61.99 -55.87 24.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.72 27.28 32.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.545 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.8 mp -87.54 162.46 17.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.17 160.5 29.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.421 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 29.2 t80 -131.3 164.74 24.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.33 148.88 24.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.87 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 28.7 mmm . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.793 0.33 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 60.23 87.19 0.14 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.97 -28.47 24.2 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.647 2.231 . . . . 0.0 112.252 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -164.78 -51.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.04 -28.57 2.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 60.62 158.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.824 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.38 157.52 20.71 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.92 -179.67 4.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . 0.444 ' CH2' ' CD2' ' A' ' 3' ' ' LEU . 17.7 m95 60.13 31.63 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.86 -64.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.404 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -61.31 -31.05 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.404 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 0.3 OUTLIER -63.58 -31.42 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -72.36 -41.66 66.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.52 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.71 -38.15 62.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.2 tp -59.96 -53.13 61.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.04 -32.96 71.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -60.28 -33.54 72.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.94 -34.56 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.93 -36.53 74.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -27.02 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.89 -23.57 28.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -96.32 -24.96 15.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.223 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 120.75 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 111.023 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 40.8 t -57.8 156.31 8.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.42 ' HB3' ' CE2' ' B' ' 70' ' ' PHE . 9.4 t -82.78 -31.41 28.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -100.67 -60.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 70.7 m -61.14 -19.15 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.194 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 10.2 t 44.8 52.05 8.13 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.966 0.413 . . . . 0.0 111.366 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -156.17 -176.17 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.0 mm -64.54 123.94 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.19 152.05 21.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -154.73 100.95 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.0 tt0 55.71 52.19 7.3 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 65.7 Cg_endo -73.89 -173.82 1.52 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.613 2.209 . . . . 0.0 112.657 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 22.1 t -137.66 146.29 27.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.038 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 8.4 t -85.17 114.03 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.18 -54.8 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -108.77 0.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.538 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.6 34.48 1.7 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 2.7 p -117.02 30.28 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 65.59 14.07 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.435 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 123.34 33.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 110.798 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 8.4 mt -140.66 128.73 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.441 ' CD1' ' CG1' ' B' ' 75' ' ' VAL . 3.3 m-85 -148.25 173.6 12.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 20.8 m -59.33 -176.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.8 p -94.69 26.1 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -148.9 20.02 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.192 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 m -116.12 -64.79 1.26 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.474 ' HB ' HD13 ' B' ' 79' ' ' ILE . 32.7 m -61.37 -23.55 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.581 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.9 t -46.24 -25.34 0.6 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.812 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -87.81 22.84 2.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.706 0.288 . . . . 0.0 111.297 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.91 38.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.988 0.423 . . . . 0.0 110.34 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.474 HD13 ' HB ' ' B' ' 75' ' ' VAL . 1.5 mm -120.47 157.09 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.861 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.72 25.77 40.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.173 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.4 m -162.2 -44.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.81 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.34 138.03 3.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.414 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.71 114.27 28.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.622 0.248 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.01 -1.25 11.43 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.445 2.097 . . . . 0.0 112.641 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.34 -28.34 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.798 0.332 . . . . 0.0 111.195 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 57.3 m -106.18 -19.24 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 67.07 49.7 1.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 73.7 m -140.1 140.04 22.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.11 162.77 3.79 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.421 2.081 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.0 84.6 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.81 -25.92 61.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.56 85.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -59.57 -31.36 69.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -115.79 157.24 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.5 75.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -60.86 175.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 25.0 mm -130.73 139.26 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.203 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.18 94.82 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.784 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -58.93 -30.85 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.46 -47.38 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.414 HD21 ' CZ ' ' A' ' 79' ' ' PHE . 2.7 mm? -61.06 -46.79 89.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.644 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -60.76 -46.37 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 6.8 t -59.92 -34.28 73.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 1.4 mtp -62.72 -32.4 73.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.644 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 27.2 mm -65.28 -51.42 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.964 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -64.08 -31.21 72.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.54 -51.95 56.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 51.9 t -61.87 -30.02 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 31.0 t -59.15 -47.01 86.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -59.94 -49.78 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tp -57.6 -36.34 71.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -65.96 -45.8 80.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -70.74 -39.26 73.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.09 -43.8 95.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.01 -38.12 84.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -60.01 -72.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 t0 60.22 35.63 20.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 60.32 -178.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -147.03 35.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 8.0 tt -171.45 140.51 1.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 73.2 p -141.83 80.11 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.146 -0.931 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.794 0.33 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -158.73 30.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.92 28.04 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.55 15.66 8.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.292 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 54.18 21.33 3.0 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' CD1' ' CZ2' ' B' ' 34' ' ' TRP . 1.9 pp -74.05 99.61 3.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.896 0.379 . . . . 0.0 110.285 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' GLU . 19.4 mtt180 63.7 -84.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.327 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.7 t 61.09 -73.83 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.511 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ARG . 2.7 pt-20 -46.49 -29.8 1.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.323 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.5 -58.32 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.417 HG23 ' CZ3' ' B' ' 34' ' ' TRP . 23.8 t -58.36 -41.22 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -43.38 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -59.99 -35.95 76.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.76 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.0 t -66.89 -28.41 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.2 mm -72.41 -31.28 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.007 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -74.43 -50.34 18.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.74 89.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.1 tpp -64.45 -43.26 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -64.25 -40.64 96.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.018 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -55.96 -28.38 56.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mt -67.55 -29.24 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 82' ' ' LEU . 10.5 mp -115.25 28.2 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.65 -168.29 2.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.756 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.434 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 10.2 t -115.03 134.45 22.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -93.12 10.37 2.24 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.883 2.389 . . . . 0.0 114.114 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.2 pp -132.47 -38.86 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.34 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.3 p -128.09 4.47 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.594 0.235 . . . . 0.0 111.633 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 53.79 31.03 12.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.515 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -102.2 120.78 41.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.836 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 tp -37.82 101.56 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.29 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 31' ' ' ILE . 1.1 pp -53.84 108.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.904 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.61 -37.25 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.489 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -111.72 94.19 22.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.466 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.72 111.2 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.439 2.092 . . . . 0.0 112.31 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.0 t -117.42 123.23 71.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.993 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 p -87.79 104.07 16.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.4 p -70.38 162.55 28.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HG3' ' CH2' ' B' ' 91' ' ' TRP . 7.5 ttpt -47.45 -26.38 1.34 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.699 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.7 t -91.55 23.63 3.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.399 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.2 t70 55.11 36.78 27.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.363 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.429 ' CE1' HD22 ' A' ' 63' ' ' LEU . 37.8 m-70 -114.07 149.43 35.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.028 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mm -88.6 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.283 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -151.44 -177.28 5.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.776 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.7 m -100.7 22.95 11.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttm 68.01 -67.9 0.18 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.6 -26.7 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.7 m -54.46 -29.12 48.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.3 mmt -69.12 -38.03 78.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.95 -42.56 99.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -74.22 -33.22 63.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.8 tp -75.31 -52.57 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.88 -31.35 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -82.22 -32.59 29.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -62.24 121.35 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm 60.13 -177.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.19 161.63 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.28 -176.86 52.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -51.64 -178.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.633 2.222 . . . . 0.0 112.3 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.83 -31.42 28.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 62.2 117.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.5 t -68.58 114.81 24.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.65 -7.13 20.3 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.413 2.076 . . . . 0.0 112.582 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.429 HD22 ' CE1' ' A' ' 41' ' ' HIS . 5.3 mp -78.16 -30.65 49.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.062 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 11.1 p -151.36 25.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.238 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.76 34.45 21.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -75.04 -167.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -128.0 103.6 7.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.0 mt -107.71 139.72 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 p -137.15 160.86 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -59.9 161.7 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.0 46.87 7.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -143.93 -62.01 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.92 167.77 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -157.18 164.17 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.56 100.99 13.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.8 p -113.71 115.59 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.3 m -67.84 74.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -112.93 -35.83 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.783 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.41 ' CD1' HD11 ' A' ' 82' ' ' LEU . 7.2 m-85 -127.9 46.49 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.695 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.5 p -97.26 -71.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.28 -20.94 58.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.438 ' HB2' HD22 ' A' ' 22' ' ' LEU . 4.3 mt -73.23 -30.5 63.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.762 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 t -79.4 -40.33 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.96 -46.08 72.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -37.7 80.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.714 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -45.0 84.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.748 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.2 -35.78 76.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -68.13 -39.51 82.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.3 mt -63.87 -40.97 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.415 HG23 ' CD1' ' A' ' 101' ' ' TYR . 5.4 mt -67.26 -39.24 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.2 m -60.17 -39.61 87.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.71 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.87 90.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.88 -27.28 66.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -85.79 -26.51 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.74 -67.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -88.13 -62.43 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -41.67 73.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 57.47 27.22 58.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.766 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.33 -177.47 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.346 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.69 133.38 42.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.415 ' CD1' HG23 ' A' ' 90' ' ' ILE . 70.9 t80 -110.12 162.33 14.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.73 -64.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.926 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.808 0.337 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.419 ' CB ' ' CD ' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -178.47 -61.61 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' B' ' 27' ' ' GLU . 57.9 Cg_endo -71.5 130.94 17.98 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.522 2.148 . . . . 0.0 112.244 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.67 159.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.01 -48.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.76 -69.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.37 44.92 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -146.33 162.13 38.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . 0.455 ' CZ2' ' CD1' ' A' ' 6' ' ' LEU . 1.8 m95 59.47 44.41 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.49 -69.32 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.409 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -68.2 -31.34 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.409 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 1.5 m -73.83 -34.55 64.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -60.11 -46.72 88.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.95 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.85 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.056 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.41 -42.92 92.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.14 -31.3 69.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -61.82 -53.61 53.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.33 -31.1 70.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -59.67 -37.83 79.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -30.69 66.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.88 -32.7 63.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.64 -20.48 46.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 123.5 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -59.83 155.3 16.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -33.73 60.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.449 ' NH1' ' CE1' ' B' ' 70' ' ' PHE . 10.5 mpt_? -102.16 -59.32 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' THR . 72.7 m -60.83 -19.45 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.2 t 44.6 47.27 8.54 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.867 0.365 . . . . 0.0 111.288 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -151.59 -175.69 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 37.7 mm -60.66 120.28 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.79 158.1 8.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 101.35 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.649 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.3 tt0 54.05 51.76 8.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.637 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 74.0 Cg_endo -75.4 -168.53 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.562 2.174 . . . . 0.0 112.62 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 22.8 t -151.7 140.01 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 23.6 m -58.37 -168.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.704 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.435 HD22 HG23 ' B' ' 75' ' ' VAL . 0.2 OUTLIER -120.41 -68.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.061 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.41 -109.37 0.23 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.635 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.46 29.35 7.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 21.1 p -116.21 -145.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -135.09 43.34 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 110.975 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.421 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 19.9 m170 -123.64 146.73 47.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 9.0 mt -148.78 141.81 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.916 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CE1' ' NH1' ' B' ' 52' ' ' ARG . 1.1 m-85 -150.51 160.44 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -59.02 162.01 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p -57.8 -21.27 41.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.283 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -99.34 20.43 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.486 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 m -142.85 -53.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.435 HG23 HD22 ' B' ' 63' ' ' LEU . 14.8 p -59.97 -39.33 79.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.29 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 10.3 t -55.59 -21.82 19.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.355 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -49.96 -26.82 4.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.41 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 50.4 m -153.25 76.68 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 111.324 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 43.6 mm -125.61 158.16 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.001 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.32 25.45 63.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.341 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 82.1 m -158.72 -45.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.94 139.27 3.68 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.537 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.4 t -57.51 134.82 82.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.644 0.259 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.43 -22.07 9.74 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.513 2.142 . . . . 0.0 112.66 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 13.3 t -89.1 -28.99 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.292 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 20.6 m -98.85 -23.1 15.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 62.47 37.62 13.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 3.9 m -119.63 135.85 24.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.29 142.97 55.16 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.468 2.112 . . . . 0.0 112.255 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.14 90.22 4.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . 0.42 ' CH2' ' HG3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -58.54 -25.27 62.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.2 pt -99.85 88.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.178 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -29.09 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -106.91 142.82 35.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.776 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.81 80.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -71.29 139.67 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.802 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 35.0 mt -104.12 135.25 42.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.313 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -97.86 92.42 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.651 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -28.96 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.34 -51.94 63.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.1 -48.51 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.752 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -65.27 -47.22 77.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.786 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 35.4 t -55.38 -31.16 61.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.707 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 17.9 ttm -71.38 -33.2 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.691 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 45.1 mt -57.84 -48.84 82.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.72 -39.76 89.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.478 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -45.82 87.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.606 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.32 -36.78 71.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.582 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -34.48 77.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.445 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -58.64 -51.88 68.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.666 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -34.91 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.765 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -59.72 -44.59 93.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -75.48 -33.01 60.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 9.7 mp -72.32 -31.64 65.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.421 ' HA ' ' CG ' ' B' ' 34' ' ' TRP . 6.3 mt -74.17 -31.58 62.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -69.46 -74.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.42 -176.93 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -136.8 31.34 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 60.21 106.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.53 -35.76 5.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.809 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 3.4 m -175.11 160.22 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.889 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tmm? . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.794 0.331 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -98.43 30.15 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp 56.88 42.34 26.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.77 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 55.05 21.7 3.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.42 22.9 3.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.702 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pp -87.39 83.99 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 55.56 79.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.51 -44.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -50.61 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -28.27 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.418 HG22 ' CZ3' ' B' ' 34' ' ' TRP . 34.9 t -69.65 -30.72 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -71.87 -36.2 70.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -64.55 -40.02 94.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 t -59.41 -56.17 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.42 HG23 ' CZ ' ' A' ' 101' ' ' TYR . 3.8 mt -56.66 -29.8 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.201 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -63.0 -58.39 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.688 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.64 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.785 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.4 tpp -64.61 -35.36 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -68.13 -32.81 73.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -59.53 -40.43 87.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.723 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.1 -31.39 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 79' ' ' PHE . 3.9 mm? -107.17 31.03 5.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -99.17 -170.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.38 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.4 t -111.5 141.47 24.59 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.704 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.425 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 68.7 Cg_endo -93.25 -9.42 2.04 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.825 2.35 . . . . 0.0 114.638 -178.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 27' ' ' CYS . 2.1 pt -131.62 -32.62 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.44 ' N ' HG13 ' A' ' 26' ' ' ILE . 9.9 m -105.81 -13.51 15.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.665 0.269 . . . . 0.0 111.453 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 3.4 mm? 59.3 27.46 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.829 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 9.6 pt-20 -113.05 126.85 55.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 tp -38.33 100.82 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.446 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.7 pt -50.71 141.43 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.748 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.19 -39.86 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.705 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -110.46 93.48 16.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.607 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -48.33 120.94 5.54 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.575 2.183 . . . . 0.0 112.779 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.4 t -127.36 123.82 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.49 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 14.3 p -105.51 130.76 53.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.926 0.393 . . . . 0.0 111.576 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 p -96.5 163.72 12.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.514 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HG2' ' CZ2' ' B' ' 91' ' ' TRP . 4.6 mttp -47.18 -26.17 1.09 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.098 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.79 10.02 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.2 t70 63.58 44.93 4.92 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.027 0.442 . . . . 0.0 110.478 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.471 ' O ' ' HA ' ' A' ' 36' ' ' SER . 26.7 m170 -108.17 -173.63 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.999 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.4 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 25.8 mm -133.22 154.07 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.27 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CE2' ' HG2' ' A' ' 25' ' ' PRO . 63.3 m-85 -153.37 174.28 14.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.8 p -97.79 27.7 4.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.87 144.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.4 t80 74.7 4.13 4.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.504 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.2 m -76.97 -32.82 57.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.981 0.419 . . . . 0.0 110.585 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.419 ' HE2' ' CD1' ' A' ' 43' ' ' PHE . 12.4 mmt -65.84 -42.6 90.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.509 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.32 -45.76 92.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.537 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -76.15 -31.9 58.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.73 -31.14 64.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.54 -35.71 16.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -73.76 -34.63 64.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -58.73 -31.23 68.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -97.66 -176.82 3.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 18.06 19.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.95 -154.54 9.07 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.617 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -47.53 144.68 9.99 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.806 2.338 . . . . 0.0 112.576 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -171.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.769 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -165.33 104.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 45.9 t -45.38 104.29 0.39 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.57 -12.03 34.13 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.452 2.101 . . . . 0.0 112.566 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . 5.6 mp -79.16 -30.57 43.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.6 m -118.69 -61.27 1.67 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.77 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 pttp 172.54 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 173.35 137.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 169.35 39.07 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.4 mt -151.94 143.59 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.99 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.5 p -148.62 36.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm 59.28 162.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 59.42 71.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -172.04 -56.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -178.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -173.06 138.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.793 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.03 101.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -101.8 169.98 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.1 m -110.7 72.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.76 -64.28 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' A' ' 22' ' ' LEU . 3.4 m-85 -97.52 37.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.55 -69.8 0.66 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -63.32 -28.01 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.32 -30.98 68.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.865 0.364 . . . . 0.0 110.632 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.51 -52.77 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.939 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.04 -37.72 88.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.798 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -59.05 -47.83 83.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.815 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.3 tp -58.62 -47.08 85.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -54.14 -30.32 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -75.84 -31.16 59.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.9 mt -69.02 -31.68 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.43 ' CD1' ' CE2' ' A' ' 101' ' ' TYR . 4.5 mt -78.39 -39.65 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.83 -50.9 72.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' HB3' ' CG ' ' B' ' 36' ' ' HIS . . . -59.51 -47.9 83.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.404 ' CZ ' HG21 ' A' ' 97' ' ' THR . 2.9 t80 -59.55 -47.38 85.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.33 -30.69 69.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -47.83 84.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.4 -66.64 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 16.4 p -66.44 -54.1 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.77 28.36 73.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.55 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.17 167.08 21.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.13 144.07 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.43 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 15.0 t80 -130.49 -63.11 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -168.31 134.24 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.889 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -81.63 149.83 65.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.08 -179.55 3.14 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.56 2.173 . . . . 0.0 112.33 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -104.88 175.94 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.22 -113.52 4.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -139.77 153.13 47.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.68 -108.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.527 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.05 155.12 32.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.322 . . . . 0.0 111.071 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . 0.418 ' CZ3' HG22 ' A' ' 11' ' ' VAL . 72.0 t-105 60.34 92.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -174.17 -41.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.37 -29.45 66.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -74.16 -31.61 62.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -53.03 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.32 87.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.97 -32.69 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.06 -45.76 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -65.86 -32.49 74.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.784 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -60.51 -31.47 70.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tt -75.46 -40.15 57.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -59.98 -25.29 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -32.24 56.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.06 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mp -95.22 17.71 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.1 -40.87 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.062 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.13 105.62 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.864 0.364 . . . . 0.0 110.988 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 41.1 t -51.02 153.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.274 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -85.97 -31.29 22.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.451 ' CD ' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -88.12 -58.61 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.404 ' O ' ' CG2' ' B' ' 54' ' ' THR . 91.1 m -68.41 -13.15 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.392 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.5 t 44.62 50.51 8.38 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.991 0.424 . . . . 0.0 111.321 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -169.12 -165.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.762 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 40.3 mm -57.52 158.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.27 164.36 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -169.28 113.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.486 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 4.7 tt0 47.73 51.02 9.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 73.6 Cg_endo -76.78 177.49 8.79 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.644 2.229 . . . . 0.0 112.689 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 38.2 t -136.46 138.58 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.0 168.45 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.56 -54.57 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.18 -105.94 0.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.557 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.0 38.42 2.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.77 -145.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -128.1 42.59 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -131.01 141.68 50.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -141.81 147.68 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.451 ' CD2' ' CD ' ' B' ' 52' ' ' ARG . 8.5 m-85 -146.07 170.86 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 111.039 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.6 m -61.2 178.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -30.36 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -94.71 17.62 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.232 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 51.3 m -101.19 -65.89 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.1 -29.67 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -48.81 -27.94 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.281 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -47.03 65.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 50.2 m -138.51 57.06 1.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.423 HG13 ' N ' ' B' ' 80' ' ' GLY . 0.6 OUTLIER -95.89 139.66 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.359 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . 0.423 ' N ' HG13 ' B' ' 79' ' ' ILE . . . 112.38 -28.8 8.79 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.808 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.3 t -76.36 -28.54 56.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 110.601 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.38 139.12 9.91 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.42 127.61 77.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.594 0.235 . . . . 0.0 110.973 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -78.54 -16.35 13.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.57 2.18 . . . . 0.0 112.606 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 26.3 t -89.51 -28.63 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 16.1 m -94.81 -18.58 21.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.216 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 65.21 36.79 6.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 89.7 m -132.63 139.33 34.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.751 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.0 143.64 55.22 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.449 2.099 . . . . 0.0 112.33 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.81 91.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . 0.415 ' CZ2' ' HG2' ' A' ' 38' ' ' LYS . 51.6 t90 -57.51 -23.37 49.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.1 pt -96.61 85.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -58.48 -27.57 64.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -99.74 164.98 11.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.44 73.35 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -69.7 137.5 52.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.459 HD13 HG21 ' B' ' 97' ' ' ILE . 37.7 mt -110.64 134.84 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -93.44 90.22 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -56.58 -29.05 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.19 -55.28 19.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' A' ' 79' ' ' PHE . 11.3 tp -59.97 -30.97 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.8 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.81 -50.76 65.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.664 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -60.7 -31.85 71.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.72 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.4 mtp -60.26 -42.53 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 4.8 mt -59.73 -57.02 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.009 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -57.89 -32.11 67.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.678 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -53.01 62.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.726 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.6 t -57.71 -31.7 66.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.769 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -39.66 85.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -62.21 -48.63 79.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.618 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 tp -60.28 -37.3 80.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -59.54 -38.49 81.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -68.53 -33.43 74.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -75.55 -30.94 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mp -74.59 -30.94 61.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -133.0 109.73 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -117.6 31.58 6.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -144.82 -53.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.56 86.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.4 -46.94 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 2.7 m -146.35 179.34 7.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.872 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.829 0.347 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.22 153.97 20.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.417 HD23 ' CZ3' ' B' ' 34' ' ' TRP . 5.1 mp -83.77 58.61 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 m 64.16 15.4 9.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.349 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.72 23.15 3.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.715 0.293 . . . . 0.0 111.535 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.75 -30.75 61.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.725 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -164.88 -80.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.404 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t 64.1 -73.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.281 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -55.79 -30.76 61.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.044 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.06 -59.89 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.768 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.414 ' HB ' ' CE1' ' A' ' 93' ' ' PHE . 22.5 t -59.46 -39.53 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -54.32 -47.16 72.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -60.74 -31.87 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.2 t -68.39 -43.32 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.7 -44.27 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.69 -45.16 72.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.78 -33.23 70.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.7 ttm -71.41 -31.32 67.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.802 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.88 -28.9 67.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -57.04 -33.67 67.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.3 mp -70.09 -21.63 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.432 HD11 ' CD2' ' A' ' 79' ' ' PHE . 2.9 mm? -117.98 41.04 2.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.696 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -104.16 -175.61 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.7 t -108.98 140.1 21.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.644 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.434 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 63.0 Cg_endo -93.17 -9.8 1.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.887 2.391 . . . . 0.0 114.652 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 27' ' ' CYS . 3.1 pt -129.64 -32.97 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.448 ' N ' HG13 ' A' ' 26' ' ' ILE . 9.8 m -106.01 -14.78 15.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.573 0.225 . . . . 0.0 111.318 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 2.7 mm? 60.67 26.37 16.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.685 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.2 mt-10 -111.65 124.53 52.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.7 tp -37.11 102.3 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.499 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.4 pt -52.28 136.17 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.505 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -36.8 5.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.627 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -114.56 81.66 7.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.567 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -49.07 140.82 23.94 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.648 2.232 . . . . 0.0 112.502 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -149.42 126.71 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.7 p -93.96 116.83 29.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 p -79.69 162.7 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.496 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -47.99 -27.54 2.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.901 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.1 t -91.73 15.54 12.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.33 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 63.65 41.54 7.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.851 0.357 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 26.1 m170 -109.27 149.15 29.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 41.8 mm -98.63 150.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.462 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.444 ' CD1' ' CE ' ' A' ' 48' ' ' MET . 92.6 m-85 -157.62 172.32 18.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.53 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.8 p -97.93 31.13 2.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 tptt 70.17 -63.29 0.4 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -29.23 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.431 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.1 m -60.59 -38.56 85.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.444 ' CE ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -59.11 -38.77 80.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -68.56 -47.8 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.821 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -69.38 -37.87 77.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.32 -30.83 66.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 mt -82.31 -34.26 28.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -98.56 -0.55 43.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.421 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -59.32 -75.71 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.71 28.92 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mttt 60.28 158.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.54 -156.92 52.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.553 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.79 152.7 12.82 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.606 2.204 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.09 138.05 34.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -96.83 114.72 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.35 116.74 12.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -86.51 39.33 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.714 2.276 . . . . 0.0 112.602 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -133.95 -47.09 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.948 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.0 p -135.0 27.67 3.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tptt 55.7 23.25 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.25 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -60.07 -167.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -140.49 110.58 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -101.86 141.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.51 49.57 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.402 ' HA ' HD23 ' A' ' 73' ' ' LEU . 3.7 tttt 55.86 -173.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.81 -62.6 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.309 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -21.41 35.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.299 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 70' ' ' LYS . 3.3 mm? -70.76 106.76 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -130.06 123.06 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.28 118.08 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -91.81 157.68 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.6 m -112.96 -21.4 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.262 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.34 -35.39 69.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.07 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.432 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.9 m-85 -102.77 22.07 14.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.199 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.5 t -91.5 -58.32 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.661 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -66.6 -27.77 67.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -59.2 -31.98 69.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.6 t -75.28 -56.0 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.092 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.58 -39.31 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.39 -42.27 95.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -38.0 78.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.48 -42.88 93.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -66.32 -32.0 73.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.6 mt -74.81 -31.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.421 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 5.4 mt -79.37 -47.56 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.1 m -59.59 -46.01 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.411 ' O ' ' CD2' ' B' ' 36' ' ' HIS . . . -59.57 -43.81 93.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.414 ' CE1' ' HB ' ' A' ' 11' ' ' VAL . 13.7 t80 -56.43 -30.69 63.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.28 -30.93 54.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 tp -62.56 -33.24 74.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.95 -71.69 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.406 HG22 ' CZ ' ' A' ' 93' ' ' PHE . 12.6 p -59.57 -57.39 13.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.82 27.53 23.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.1 mp -92.09 164.59 13.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -78.55 152.48 31.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.421 ' CZ ' HD11 ' A' ' 90' ' ' ILE . 47.6 t80 -110.75 151.94 27.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 60.57 106.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.7 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.928 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 11.4 ttp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -115.2 84.77 11.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.22 90.13 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.567 2.178 . . . . 0.0 112.267 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -106.22 -31.23 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 164.42 48.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -106.25 116.24 31.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -133.0 137.94 9.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.31 157.5 44.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . 0.417 ' CZ3' HD23 ' A' ' 3' ' ' LEU . 12.1 m95 60.11 30.72 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.14 -62.11 1.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.411 ' CD2' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.11 -30.64 69.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.5 t -62.46 -31.55 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -44.99 52.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.53 92.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.04 -36.09 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.76 -46.58 88.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.79 -34.87 76.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -57.87 -39.21 77.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 tt -77.47 -29.96 52.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.86 -31.02 68.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -30.72 64.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.68 18.01 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.215 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.76 -41.51 2.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -55.76 130.18 42.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 48.0 t -60.15 156.42 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.421 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 1.3 m -78.77 -34.06 45.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -60.33 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.787 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 35.9 m -57.39 -22.48 43.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 5.3 t 44.12 62.25 2.05 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.42 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -168.52 -178.49 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.81 75.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 pp -51.38 170.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -149.86 124.0 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.588 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 68.5 tt0 56.36 53.42 7.55 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.607 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 52.1 Cg_endo -69.52 -174.23 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.59 2.193 . . . . 0.0 112.577 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 22.3 t -131.34 145.78 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.0 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.3 m -73.67 140.19 45.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.42 HD23 ' CE1' ' B' ' 70' ' ' PHE . 1.1 tm? -63.04 -63.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.81 -51.59 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.49 43.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.523 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.34 -80.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 177.34 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.423 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 31.3 m80 -55.42 140.32 40.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.168 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 mp -131.59 128.99 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.7 OUTLIER -129.16 167.24 17.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.867 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 16.0 m -62.36 -169.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.689 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -96.31 27.88 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -156.19 23.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 12.5 m -132.67 -49.86 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.6 p -57.95 -31.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.071 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -64.52 80.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -152.31 -47.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 69.2 m -128.16 38.41 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.785 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 12.8 mm -73.29 -31.86 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.39 -27.77 68.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.49 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.1 t -105.53 -47.62 3.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.72 -118.3 0.87 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.441 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 45.0 t -118.05 134.31 23.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 120.622 0.248 . . . . 0.0 110.77 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -77.87 -16.67 14.33 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.517 2.145 . . . . 0.0 112.692 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 20.9 t -96.37 -66.78 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.798 0.332 . . . . 0.0 111.336 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 27.0 m -70.8 -14.49 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.319 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 61.94 26.51 16.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.75 0.309 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 64.7 m -93.67 128.81 40.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.07 143.1 63.76 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.38 2.054 . . . . 0.0 112.295 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.84 114.52 7.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -94.08 16.57 14.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.327 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 14.4 pt -118.19 -41.24 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 61.12 15.77 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -160.84 -176.51 5.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 29.2 mt -109.2 90.9 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -84.49 -172.37 4.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 23.4 mm -131.96 135.39 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.18 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -81.32 81.35 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.757 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -56.98 -32.12 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -81.67 -55.8 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.942 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -41.21 94.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.685 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -59.12 -48.57 81.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.85 -30.45 63.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.545 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' MET . . . . . 0.411 ' CE ' ' CD2' ' A' ' 22' ' ' LEU . 24.9 ttm -71.02 -32.38 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.654 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.1 -51.47 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.562 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.73 -31.44 71.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.63 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -51.1 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.781 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.5 t -58.52 -31.84 68.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -41.3 93.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.707 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -59.87 -51.33 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.785 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -35.86 81.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -38.13 78.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -87.29 -31.24 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.08 -31.54 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.33 -31.22 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -59.86 -42.09 92.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.51 85.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -159.2 151.35 21.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.38 166.99 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 17.0 mt -142.64 33.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 4.3 m 60.45 102.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.902 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.726 0.298 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 57.71 30.24 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.026 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.419 HD22 ' CH2' ' B' ' 34' ' ' TRP . 3.2 tp 56.3 37.85 29.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m 62.17 21.32 12.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.27 23.32 5.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.419 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.28 -53.17 61.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.017 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -175.36 49.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.416 HG12 ' CZ ' ' A' ' 93' ' ' PHE . 21.5 t -85.13 -30.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.73 -38.72 73.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.71 -52.58 29.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.409 HG11 ' CE1' ' A' ' 93' ' ' PHE . 38.9 t -59.13 -47.25 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -53.16 -34.95 59.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -69.5 -30.96 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 t -73.93 -37.12 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.414 HG22 ' CE1' ' A' ' 101' ' ' TYR . 23.9 mm -65.12 -32.47 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.98 -45.66 60.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.46 90.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.0 ttm -57.72 -41.07 81.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -59.24 -40.09 84.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -59.05 -31.92 69.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.9 mt -70.59 -31.34 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.75 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.43 HD11 ' CD1' ' A' ' 79' ' ' PHE . 3.8 mm? -105.14 29.58 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.762 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.86 -169.49 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.133 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 10.7 t -114.93 137.47 22.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.944 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -93.86 13.12 1.64 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.976 2.451 . . . . 0.0 114.019 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.417 HG23 ' CE2' ' A' ' 43' ' ' PHE . 2.3 pp -138.0 -40.2 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.6 p -125.07 2.34 7.95 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.5 mm? 57.09 29.8 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.343 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.3 mm-40 -103.96 119.61 39.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.608 0.242 . . . . 0.0 110.862 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.0 tp -38.17 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.385 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.1 pt -49.78 133.54 8.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.633 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.43 -33.42 6.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -115.76 80.73 8.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.73 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -51.34 131.65 36.93 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.597 2.198 . . . . 0.0 112.542 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.56 120.67 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.8 p -75.55 128.91 36.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.448 ' CG2' ' CD1' ' A' ' 43' ' ' PHE . 4.0 p -95.79 162.94 13.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.7 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD3' ' CZ3' ' B' ' 91' ' ' TRP . 0.5 OUTLIER -47.82 -28.36 2.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.537 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.8 m -96.26 26.46 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.122 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 54.27 51.22 14.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.29 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' A' ' 39' ' ' CYS . 89.5 m-70 -126.02 151.42 47.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.422 HG13 ' CD2' ' A' ' 79' ' ' PHE . 32.8 mm -97.78 138.37 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.448 ' CD1' ' CG2' ' A' ' 37' ' ' THR . 15.5 m-85 -136.38 177.44 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 46' ' ' PHE . 3.7 m -99.56 30.49 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt 64.02 -75.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 44' ' ' CYS . 1.1 t80 -52.47 -26.31 12.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.204 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.2 m -57.51 -31.42 66.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.2 mmt -68.85 -37.3 79.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.5 -56.18 25.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -38.64 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.796 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 tp -69.99 -32.59 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -77.72 -30.93 51.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.38 -20.08 20.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -54.39 -30.6 52.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.104 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -136.77 23.98 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? 60.66 154.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.989 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.09 -156.25 11.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.584 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.12 158.77 3.11 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.593 2.195 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.18 -174.66 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -133.73 113.39 12.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.7 t -57.1 109.49 1.77 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.54 -15.4 22.0 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.508 2.139 . . . . 0.0 112.68 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.41 ' CD2' ' ND1' ' A' ' 41' ' ' HIS . 4.7 mp -79.47 -28.37 41.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 111.228 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 m -138.95 21.45 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.274 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.02 28.06 1.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -82.95 -169.15 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -124.62 102.08 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.1 mt -82.48 158.59 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.22 -174.62 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -98.17 33.66 2.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.9 mtm-85 -168.34 34.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.74 -43.2 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.07 169.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -141.63 91.19 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.29 102.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.0 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 m -130.2 -175.77 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.1 m -114.34 85.68 2.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -53.16 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 42.2 m-85 -108.39 33.3 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.741 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 p -85.56 -41.56 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -83.53 -31.2 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.482 ' CD1' ' CD1' ' A' ' 79' ' ' PHE . 44.6 mt -63.15 -30.78 71.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.6 t -82.93 -34.7 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -76.68 -49.72 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -41.34 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.3 tp -57.59 -47.68 81.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.766 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.5 mt -57.05 -31.04 64.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -73.89 -37.19 64.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.759 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.2 mt -66.92 -32.7 59.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.405 HG22 ' CD1' ' A' ' 101' ' ' TYR . 11.9 mt -68.29 -42.46 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.1 m -64.8 -36.35 84.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' B' ' 36' ' ' HIS . . . -59.74 -40.72 89.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.416 ' CZ ' HG12 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -59.13 -56.17 25.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -62.32 -30.9 71.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.12 -41.93 93.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -98.55 -65.74 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.6 p -58.64 -56.59 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.99 26.96 22.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.548 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.11 165.97 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.58 131.06 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.414 ' CE1' HG22 ' A' ' 15' ' ' ILE . 38.3 t80 -86.28 -38.33 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -174.23 79.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.5 t30 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.913 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.8 0.333 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.91 153.96 38.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 107.7 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.628 2.219 . . . . 0.0 112.297 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -154.53 -53.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 165.63 42.07 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.576 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -105.41 -31.2 9.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.43 51.01 3.62 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.48 156.06 33.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' TRP . . . . . 0.419 ' CH2' HD22 ' A' ' 3' ' ' LEU . 25.7 m95 60.14 31.5 20.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.86 -60.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.01 -30.72 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -35.24 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -44.3 54.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.0 75.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.49 69.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.75 -46.87 88.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -59.68 -36.08 75.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -61.81 -40.93 96.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.09 -31.22 67.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -58.88 -39.87 82.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -26.29 60.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.65 -30.01 41.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.32 -25.24 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -52.72 122.14 8.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.97 149.85 14.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -29.9 59.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -97.88 -58.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.408 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.1 m -63.91 -16.76 62.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.308 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.1 t 44.63 45.31 7.91 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.921 0.391 . . . . 0.0 111.382 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -157.46 -172.39 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.819 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 34.0 mm -68.2 128.86 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.37 151.69 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 ptt-85 -127.74 119.46 25.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 11.3 tt0 58.84 54.31 5.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.706 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 41.4 Cg_endo -67.25 177.15 4.0 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.605 2.204 . . . . 0.0 112.362 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 38.4 t -124.64 146.86 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.07 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 29.3 p -77.32 134.67 38.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.752 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.417 HD22 ' CE1' ' B' ' 70' ' ' PHE . 0.5 OUTLIER -58.75 -58.72 7.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.07 -66.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.6 40.93 0.53 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.585 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.1 p -123.39 -145.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -131.05 42.43 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 111.077 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.421 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.4 m170 -135.5 137.35 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.01 141.2 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.5 OUTLIER -139.25 173.0 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 15.8 m -62.26 -176.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.711 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.9 p -102.16 26.37 7.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -148.68 17.58 1.01 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.458 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 7.0 p -133.35 -44.94 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 111.053 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 12.0 p -62.96 -30.9 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 50.0 m -53.03 -30.71 37.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.43 105.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.821 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 6.5 m 59.32 25.71 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -41.52 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.448 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.62 69.63 1.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.533 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 58.2 m -163.76 -44.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.833 0.349 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.42 140.64 5.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.363 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 51.7 t -56.76 133.14 78.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.584 0.231 . . . . 0.0 110.978 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.6 -19.37 8.8 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.593 2.195 . . . . 0.0 112.703 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.2 t -91.53 -26.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.323 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 61.3 m -103.22 -22.97 13.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 62.36 38.73 12.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.914 0.388 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 142.66 28.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.69 144.05 43.31 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.442 2.095 . . . . 0.0 112.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.4 113.68 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -95.21 18.45 12.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.237 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.8 pt -127.0 92.47 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.29 -29.55 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.08 -177.15 3.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 tp -100.99 80.91 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -63.65 176.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 24.1 mm -131.72 134.32 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.112 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.14 90.68 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -58.96 -39.28 81.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -69.18 -56.43 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.425 ' HG ' ' CZ ' ' A' ' 79' ' ' PHE . 13.4 mt -60.23 -36.78 78.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -56.83 -60.48 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.1 m -60.63 -31.29 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.74 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 30.2 tpp -60.31 -38.15 82.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.763 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 5.6 mt -66.22 -44.51 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -30.69 68.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.96 -44.18 81.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.5 t -59.21 -36.02 74.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.796 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 36.5 m -66.98 -32.05 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.781 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -60.7 -48.94 79.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.732 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.86 -35.6 75.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -59.68 -39.09 83.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -74.95 -40.78 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.47 -31.25 69.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 7.4 mt -75.92 -55.13 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -73.22 -31.33 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 60.93 157.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -104.7 123.0 46.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -167.08 165.59 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 13.2 mt -144.35 177.24 8.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 46.2 m -82.18 178.19 8.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.899 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.445 HD22 ' CH2' ' B' ' 34' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.858 0.361 . . . . 0.0 110.808 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.83 ' HB2' HD23 ' A' ' 6' ' ' LEU . 3.5 m 62.2 17.6 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.219 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.47 21.7 5.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.428 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 4' ' ' SER . 2.6 pp -88.33 107.49 18.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.7 39.75 31.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.713 HG12 HD22 ' A' ' 99' ' ' LEU . 21.4 t -99.87 -30.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.14 -31.61 64.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 14' ' ' VAL . 7.1 mt-10 -66.66 -48.69 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.522 HG22 HD13 ' B' ' 114' ' ' LEU . 23.9 t -58.22 -56.01 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.226 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -49.28 -32.22 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -31.4 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.668 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.5 HG13 HD23 ' B' ' 107' ' ' LEU . 36.9 t -79.3 -30.53 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.978 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.597 HG22 ' CE1' ' A' ' 101' ' ' TYR . 33.4 mm -71.57 -35.82 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -70.9 -51.59 25.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.9 ' HB3' HD21 ' B' ' 107' ' ' LEU . . . -58.44 -29.91 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.981 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.517 ' HA ' HD13 ' B' ' 107' ' ' LEU . 10.1 tpp -68.26 -43.87 76.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.404 ' N ' HD21 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -59.67 -29.53 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -58.44 -42.89 88.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.866 HG21 ' CG ' ' B' ' 104' ' ' MET . 4.7 mp -67.33 -29.45 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.73 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.628 HD12 ' CG2' ' A' ' 83' ' ' VAL . 3.6 mm? -105.65 35.14 2.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -99.61 -169.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.467 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 9.9 t -111.61 138.71 21.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.931 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -93.69 11.6 1.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.96 2.44 . . . . 0.0 114.042 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.778 HD11 ' SG ' ' A' ' 47' ' ' CYS . 2.1 pp -138.97 -52.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.7 ' N ' HD12 ' A' ' 26' ' ' ILE . 25.5 p -106.0 -3.98 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 60.6 31.95 20.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.581 0.229 . . . . 0.0 111.358 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.5 mm-40 -111.62 124.75 52.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.623 0.249 . . . . 0.0 110.751 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.5 tp -38.11 101.78 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.479 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.827 HG22 ' SG ' ' A' ' 44' ' ' CYS . 28.4 pt -53.69 138.46 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.618 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -108.76 -44.95 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -107.58 77.55 0.61 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.39 120.24 7.97 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.62 2.213 . . . . 0.0 112.49 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.508 HG23 ' C ' ' A' ' 74' ' ' GLN . 10.6 p -129.24 132.29 67.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 p -81.15 123.16 28.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.417 HG21 ' CD1' ' A' ' 43' ' ' PHE . 77.3 p -91.86 162.89 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' CE ' ' CH2' ' B' ' 91' ' ' TRP . 4.8 tptm -45.96 -28.29 1.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.728 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.6 t -94.02 26.8 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.316 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 52.83 38.67 27.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.342 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 1.125 ' CD2' HD22 ' A' ' 63' ' ' LEU . 12.9 m80 -115.47 158.02 23.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.663 HD11 HH22 ' A' ' 78' ' ' ARG . 42.5 mm -100.49 155.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.406 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 33.0 m-85 -152.33 -177.53 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.608 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.827 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.2 m -102.45 22.95 12.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.915 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? 69.27 -65.27 0.3 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -56.35 -34.41 66.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.778 ' SG ' HD11 ' A' ' 26' ' ' ILE . 25.6 m -58.23 -33.76 69.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.824 ' HG3' HD13 ' A' ' 73' ' ' LEU . 3.4 mmt -70.9 -34.16 71.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.05 -44.62 91.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.786 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -40.15 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.747 HD23 ' OG ' ' A' ' 59' ' ' SER . 6.6 tp -64.45 -30.56 71.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.529 HD13 ' HD3' ' A' ' 70' ' ' LYS . 7.8 mt -94.07 -29.04 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -65.53 -31.07 71.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.12 132.31 53.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.1 70.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.53 18.25 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.93 -154.33 49.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.546 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.693 ' HB3' HG22 ' A' ' 69' ' ' THR . 82.0 Cg_exo -45.42 141.04 7.87 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.748 2.299 . . . . 0.0 112.609 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.747 ' OG ' HD23 ' A' ' 51' ' ' LEU . 5.4 t -57.6 154.14 11.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -118.25 107.37 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.502 ' CB ' HD11 ' A' ' 68' ' ' ILE . 25.2 t -51.42 107.0 0.72 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.204 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.91 -9.09 25.02 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.37 2.047 . . . . 0.0 112.444 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.125 HD22 ' CD2' ' A' ' 41' ' ' HIS . 3.6 mp -77.95 -36.52 49.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.046 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.8 p -115.81 -52.76 2.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.849 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.84 -35.91 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.302 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.433 ' HA ' ' N ' ' A' ' 61' ' ' CYS . 18.5 p30 -178.27 -155.83 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.834 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 16.4 t70 82.8 68.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.947 0.403 . . . . 0.0 111.686 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.502 HD11 ' CB ' ' A' ' 61' ' ' CYS . 20.5 mt -157.05 142.94 9.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.816 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.693 HG22 ' HB3' ' A' ' 58' ' ' PRO . 31.0 p -144.95 165.69 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.529 ' HD3' HD13 ' A' ' 52' ' ' LEU . 1.5 mmtp -60.18 -65.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.767 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -73.85 64.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.433 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 1.1 m -147.4 -66.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.824 HD13 ' HG3' ' A' ' 48' ' ' MET . 0.4 OUTLIER -58.3 163.68 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.985 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.508 ' C ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -169.09 130.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.87 100.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.1 m -95.57 -25.21 16.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 77' ' ' THR . 95.2 m 62.59 67.09 0.73 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.663 HH22 HD11 ' A' ' 42' ' ' ILE . 11.4 ttp-105 -112.17 -36.78 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.76 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.756 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 m-85 -104.79 30.25 5.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.763 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.3 p -84.31 -63.31 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -58.4 -29.81 66.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.599 HD22 ' SD ' ' B' ' 104' ' ' MET . 19.9 mt -65.61 -31.42 72.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 79' ' ' PHE . 34.9 t -83.52 -46.37 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.48 -46.23 80.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' B' ' 47' ' ' LEU . 5.9 mm-40 -59.78 -49.94 75.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.485 HD13 ' HG2' ' A' ' 18' ' ' MET . 14.3 tp -51.03 -44.8 61.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.991 0.424 . . . . 0.0 111.005 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.645 ' HA ' HD12 ' A' ' 90' ' ' ILE . 13.9 mt -55.11 -38.4 68.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.23 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -26.2 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.096 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.786 HG12 ' HB1' ' B' ' 40' ' ' ALA . 43.8 mt -69.9 -42.32 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 87' ' ' LEU . 3.6 mt -65.88 -34.43 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.049 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.52 -41.31 98.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.691 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -65.44 -35.89 82.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -59.14 -54.48 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.88 -30.15 70.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -40.17 84.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -98.34 -72.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.698 ' HB ' HD13 ' A' ' 99' ' ' LEU . 11.5 p -60.24 -52.74 63.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.41 27.5 43.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.594 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.713 HD22 HG12 ' A' ' 8' ' ' VAL . 10.5 mp -89.03 161.49 16.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.49 149.64 48.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.597 ' CE1' HG22 ' A' ' 15' ' ' ILE . 24.7 t80 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.836 0.351 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.464 ' HB3' HD23 ' B' ' 115' ' ' LEU . 22.6 m95 59.44 30.18 19.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.06 -51.96 10.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.691 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -62.26 -31.3 71.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.403 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 2.8 t -68.87 -36.32 77.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.68 ' HD2' HD13 ' B' ' 115' ' ' LEU . 0.6 OUTLIER -60.37 -45.01 95.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.87 73.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.786 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -68.02 -38.4 82.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' B' ' 111' ' ' LEU . 13.3 tp -59.97 -50.18 74.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.52 -37.63 76.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -61.86 -52.23 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.823 ' O ' HD23 ' B' ' 44' ' ' LEU . 5.3 tt -64.32 -32.92 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.39 -37.45 80.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.981 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -30.77 67.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.422 HD12 HD23 ' A' ' 82' ' ' LEU . 13.3 mt -79.55 -12.79 59.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.288 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -109.93 -26.01 9.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.713 0.292 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -51.38 119.23 3.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.117 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 0.682 ' HB2' HD23 ' B' ' 57' ' ' LEU . 54.1 t -58.49 156.51 10.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -82.69 -38.42 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.4 -56.27 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.407 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.0 m -72.31 -9.62 58.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.369 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.52 41.02 4.35 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.954 0.407 . . . . 0.0 111.427 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.92 176.88 10.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.572 HD12 ' H ' ' B' ' 56' ' ' ILE . 4.0 mp -57.73 134.95 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.804 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.811 HD13 ' HG3' ' B' ' 60' ' ' PRO . 0.3 OUTLIER -110.34 176.87 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.745 ' HA ' HD13 ' B' ' 105' ' ' ILE . 0.1 OUTLIER -142.31 118.79 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.549 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 33.7 tt0 53.27 52.58 10.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.51 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.811 ' HG3' HD13 ' B' ' 57' ' ' LEU . 61.1 Cg_endo -72.84 -173.78 1.32 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.632 2.221 . . . . 0.0 112.633 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 96' ' ' LYS . 7.3 p -126.69 144.5 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.804 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 44.5 t -61.0 -99.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.632 ' HG ' HG21 ' B' ' 75' ' ' VAL . 1.1 tm? 76.59 -52.64 0.59 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.813 0.34 . . . . 0.0 111.035 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.56 73.92 0.23 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.76 -25.0 14.31 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.653 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -87.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.394 0.14 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -155.69 23.21 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.654 0.264 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.43 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 8.5 m80 -111.5 158.12 19.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 111.001 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.723 HD13 HD11 ' B' ' 101' ' ' LEU . 7.4 mt -150.17 147.03 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' B' ' 51' ' ' SER . 0.1 OUTLIER -143.89 170.75 15.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.454 ' O ' HG12 ' B' ' 61' ' ' VAL . 5.4 m -67.96 176.53 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.721 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.9 m -94.32 22.67 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.77 19.17 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.199 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 10.0 m -127.57 -46.58 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.849 HG22 HD13 ' B' ' 79' ' ' ILE . 10.0 p -67.57 -30.12 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.021 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -24.89 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.263 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -94.77 25.25 4.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.054 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.02 32.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.76 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.849 HD13 HG22 ' B' ' 75' ' ' VAL . 17.6 mm -78.1 -26.52 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.236 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.07 42.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.681 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 80.9 m -107.98 -70.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.75 -113.84 0.64 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.6 t -91.02 134.15 30.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.571 0.224 . . . . 0.0 110.792 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.61 -12.9 18.35 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.474 2.116 . . . . 0.0 112.905 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.43 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 21.7 t -107.15 -67.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 111.345 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 87.4 m -65.68 -15.84 63.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 61.85 21.33 12.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.721 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.484 HG23 ' HD2' ' B' ' 89' ' ' PRO . 85.0 m -77.74 139.7 62.7 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.779 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' PRO . . . . . 0.484 ' HD2' HG23 ' B' ' 88' ' ' THR . 44.4 Cg_endo -68.24 143.81 60.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.435 2.09 . . . . 0.0 112.258 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.454 ' HB1' HD21 ' B' ' 63' ' ' LEU . . . -60.02 144.73 48.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.065 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' TRP . . . . . 0.45 ' CH2' ' CE ' ' A' ' 38' ' ' LYS . 16.5 t90 -108.73 -23.77 11.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 pt -111.04 115.0 48.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -69.19 -41.46 77.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.16 146.44 23.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.66 78.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.57 ' O ' HG23 ' B' ' 61' ' ' VAL . 71.9 mttt -71.74 172.12 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.48 HG22 ' N ' ' B' ' 98' ' ' ASN . 25.9 mm -129.7 158.74 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ASN . . . . . 0.48 ' N ' HG22 ' B' ' 97' ' ' ILE . 5.5 m120 -121.27 97.99 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -60.06 -31.26 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -62.69 -64.29 0.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.723 HD11 HD13 ' B' ' 69' ' ' ILE . 19.1 mt -57.79 -33.2 68.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.704 ' HA ' HD12 ' B' ' 105' ' ' ILE . 62.0 t0 -63.32 -47.99 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -31.36 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.763 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.866 ' CG ' HG21 ' A' ' 21' ' ' ILE . 2.5 mtp -62.94 -37.85 88.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.745 HG21 ' O ' ' B' ' 57' ' ' LEU . 6.5 mt -64.92 -49.52 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -43.33 83.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.9 HD21 ' HB3' ' A' ' 17' ' ' ALA . 2.6 mt -62.25 -44.64 96.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.32 -34.96 72.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -61.26 -39.1 89.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.635 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.743 ' CE ' HD23 ' B' ' 107' ' ' LEU . 1.5 mtpp -57.51 -59.15 5.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.72 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.555 ' CB ' HD13 ' B' ' 41' ' ' LEU . 5.3 mt -48.96 -35.83 16.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.073 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' ARG . . . . . 0.405 ' HA ' HD12 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -58.4 -39.9 80.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -76.59 -35.37 58.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' B' ' 111' ' ' LEU . 55.4 mt -59.76 -38.52 82.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.68 HD13 ' HD2' ' B' ' 38' ' ' ARG . 1.0 OUTLIER -75.43 -38.53 59.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -68.78 -41.38 78.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.94 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.845 HD11 ' CZ2' ' B' ' 34' ' ' TRP . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.945 0.403 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 76.42 1.99 3.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.621 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.96 23.58 6.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.73 0.3 . . . . 0.0 111.454 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.718 HD21 HD12 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -52.25 -29.51 23.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.194 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.404 ' O ' ' CZ2' ' B' ' 34' ' ' TRP . 5.6 ttt180 -179.1 74.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.533 HG12 HD22 ' A' ' 99' ' ' LEU . 30.3 t -107.84 -46.04 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.84 -33.92 72.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 14' ' ' VAL . 58.8 mm-40 -68.27 -55.46 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.552 HG13 ' CD2' ' B' ' 111' ' ' LEU . 25.0 t -58.53 -39.85 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -44.28 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.061 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.54 -30.07 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.562 ' O ' HD12 ' B' ' 107' ' ' LEU . 25.1 t -67.79 -30.0 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.22 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.408 ' CG2' HG12 ' A' ' 90' ' ' ILE . 10.2 mm -79.35 -36.15 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -65.02 -52.36 56.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.892 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.04 -43.78 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.553 ' SD ' HD13 ' B' ' 44' ' ' LEU . 12.8 ttm -56.4 -48.13 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' N ' HD21 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -59.25 -36.26 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.868 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -62.47 -32.77 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.783 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 18' ' ' MET . 32.9 mt -68.64 -30.63 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.782 HD22 ' CD1' ' A' ' 79' ' ' PHE . 5.5 mt -111.45 30.39 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.666 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -87.18 -165.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 11.7 t -112.06 138.79 21.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.005 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -93.72 12.81 1.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 123.012 2.475 . . . . 0.0 114.08 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 27' ' ' CYS . 2.5 pp -141.3 -51.76 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.731 ' N ' HD12 ' A' ' 26' ' ' ILE . 23.5 p -106.56 -3.65 20.55 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 59.28 33.29 22.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.355 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.6 mm-40 -111.94 127.19 55.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.618 0.247 . . . . 0.0 110.795 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 30' ' ' LEU . 11.9 tp -38.66 99.51 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.962 0.411 . . . . 0.0 111.264 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.836 HG22 ' SG ' ' A' ' 44' ' ' CYS . 28.8 pt -49.15 132.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.845 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -103.07 -46.18 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.293 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -107.24 74.61 0.41 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.153 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HG3' ' CA ' ' A' ' 80' ' ' SER . 13.8 Cg_endo -56.95 126.67 22.98 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.804 2.336 . . . . 0.0 112.738 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 27.6 m -126.03 176.7 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.453 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 p -127.2 114.49 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.551 HG21 ' CE1' ' A' ' 43' ' ' PHE . 7.8 p -84.12 158.96 21.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HA ' ' CZ3' ' B' ' 91' ' ' TRP . 17.9 tttt -47.5 -26.41 1.39 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.643 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.5 t -91.23 23.83 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 111.361 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 54.97 34.97 23.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.229 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.862 ' ND1' HD22 ' A' ' 63' ' ' LEU . 26.5 m-70 -107.87 161.97 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 40.0 mm -109.07 147.99 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 111.629 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.551 ' CE1' HG21 ' A' ' 37' ' ' THR . 37.7 m-85 -147.03 -177.64 5.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.836 ' SG ' HG22 ' A' ' 31' ' ' ILE . 5.5 m -100.47 29.64 4.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.623 ' NZ ' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER 69.15 -69.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -26.94 68.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.388 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.727 ' SG ' HD11 ' A' ' 26' ' ' ILE . 68.1 m -52.07 -29.07 19.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.769 0.319 . . . . 0.0 111.127 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.788 ' HE1' HD13 ' A' ' 68' ' ' ILE . 43.0 mmm -77.56 -32.01 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -52.76 47.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -39.55 74.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.728 HD23 ' HB3' ' A' ' 59' ' ' SER . 6.7 tp -60.05 -30.5 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 48' ' ' MET . 4.1 mt -74.78 -30.97 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -90.44 -30.71 17.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -59.16 -31.57 69.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -123.56 135.97 54.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -59.55 111.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.46 -156.76 15.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -51.51 176.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.59 2.194 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.728 ' HB3' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -71.32 -39.6 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.52 104.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 t -52.56 108.93 1.21 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.48 -9.14 25.23 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.332 2.021 . . . . 0.0 112.45 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.862 HD22 ' ND1' ' A' ' 41' ' ' HIS . 3.3 mp -82.09 -31.24 30.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.124 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.3 m -117.47 -61.81 1.65 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.882 0.372 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.79 -30.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.49 138.92 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.89 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.34 39.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.788 HD13 ' HE1' ' A' ' 48' ' ' MET . 6.3 mt -151.39 153.35 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -162.03 67.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mttt 63.25 -79.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -87.16 55.28 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.404 ' HB2' HG23 ' A' ' 68' ' ' ILE . 4.3 m -111.27 -51.47 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.623 HD11 ' NZ ' ' A' ' 45' ' ' LYS . 1.1 pt? -75.59 -174.31 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -151.86 130.88 12.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HA ' HG12 ' A' ' 35' ' ' VAL . 9.2 tt0 -74.16 136.29 42.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -168.02 -175.47 2.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.3 m -127.76 92.79 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' HG2' HD11 ' B' ' 69' ' ' ILE . 4.9 ttm105 -127.47 -53.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.782 ' CD1' HD22 ' A' ' 22' ' ' LEU . 2.2 m-85 -98.34 28.53 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.4 ' CA ' ' HG3' ' A' ' 34' ' ' PRO . 28.9 t -90.69 -62.27 1.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.71 ' HB2' HD11 ' B' ' 47' ' ' LEU . 6.3 mt-30 -57.61 -28.82 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.641 HD22 ' SD ' ' B' ' 104' ' ' MET . 3.3 mt -67.77 -33.08 74.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 79' ' ' PHE . 38.1 t -77.47 -41.68 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.51 -47.7 66.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.789 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -39.55 79.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' A' ' 89' ' ' ILE . 13.3 tp -59.92 -45.28 93.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.734 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.831 ' HA ' HD12 ' A' ' 90' ' ' ILE . 7.2 tp -55.92 -31.97 63.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.78 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -73.42 -33.01 64.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 86' ' ' LEU . 29.5 mt -68.62 -34.84 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 87' ' ' LEU . 3.9 mt -71.69 -44.18 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.2 m -58.99 -34.46 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.804 ' HB1' ' ND1' ' B' ' 36' ' ' HIS . . . -68.04 -38.59 82.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.042 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.471 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 9.4 t80 -58.61 -49.22 78.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -64.57 -27.41 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -50.4 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.573 ' OD2' HD22 ' A' ' 3' ' ' LEU . 9.8 t70 -93.32 -66.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.841 HG22 HD21 ' A' ' 3' ' ' LEU . 10.6 p -60.19 -57.23 13.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.39 28.08 31.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.603 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.675 HD13 ' HB ' ' A' ' 97' ' ' THR . 10.1 mp -87.3 162.03 17.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -69.29 176.37 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.756 ' CD2' HG21 ' A' ' 90' ' ' ILE . 86.3 t80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.88 0.372 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.845 ' CZ2' HD11 ' A' ' 3' ' ' LEU . 21.9 m95 60.23 31.34 20.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.73 -50.34 8.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.804 ' ND1' ' HB1' ' A' ' 92' ' ' ALA . 9.5 p80 -60.02 -29.68 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.995 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.604 ' OG ' HD21 ' B' ' 115' ' ' LEU . 29.1 t -71.87 -35.71 69.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.455 ' HG3' HD22 ' B' ' 115' ' ' LEU . 68.0 mtp180 -60.19 -42.14 94.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.09 64.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.625 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -59.86 -42.01 92.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.505 HD13 ' CB ' ' B' ' 111' ' ' LEU . 5.1 tp -59.57 -41.62 90.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.22 -31.49 70.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -64.08 -46.72 83.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.573 HD21 ' SD ' ' B' ' 104' ' ' MET . 8.3 tt -67.84 -32.91 73.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.74 -39.58 85.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.7 -30.84 67.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 81' ' ' GLN . 3.8 mm? -74.23 -31.28 62.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.656 HD23 HG12 ' B' ' 105' ' ' ILE . 3.9 mp -88.76 -22.55 23.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.54 117.54 2.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 0.614 ' HB2' HD23 ' B' ' 57' ' ' LEU . 50.5 t -56.86 155.41 7.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -37.61 41.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -86.3 -56.79 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.4 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.1 m -67.27 -14.42 62.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.299 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.47 37.01 1.87 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.803 0.335 . . . . 0.0 111.299 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -159.05 -171.76 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.779 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -59.32 126.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.83 ' O ' HD13 ' B' ' 105' ' ' ILE . 0.4 OUTLIER -107.55 -178.72 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.1 125.22 9.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.1 tp10 54.79 52.39 8.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.485 ' HG3' HD13 ' B' ' 57' ' ' LEU . 71.7 Cg_endo -76.89 179.62 6.32 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.532 2.155 . . . . 0.0 112.584 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.617 HG22 ' O ' ' B' ' 96' ' ' LYS . 21.2 t -124.07 152.81 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.047 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.43 -77.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.619 HD22 HD11 ' B' ' 92' ' ' ILE . 0.2 OUTLIER 76.56 107.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.812 -179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.409 ' CA ' HG22 ' B' ' 88' ' ' THR . . . 75.71 -66.44 2.4 Favored Glycine 0 C--N 1.318 -0.466 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.633 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.13 56.31 0.84 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -122.04 -86.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.62 0.248 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -157.4 23.93 0.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 110.982 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.433 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 32.7 m170 -132.53 115.42 15.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.964 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.538 HG21 HD13 ' B' ' 101' ' ' LEU . 3.3 mp -119.95 145.83 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -136.56 176.41 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.8 p -92.43 156.18 17.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.6 t -58.64 -20.59 49.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.28 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -94.16 19.59 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.485 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 8.3 m -141.87 -53.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.819 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.926 HG22 ' CD1' ' B' ' 79' ' ' ILE . 13.1 p -59.3 -29.98 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 5.8 m -54.04 -23.93 15.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.285 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -94.01 25.15 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 5.6 t -163.69 30.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.926 ' CD1' HG22 ' B' ' 75' ' ' VAL . 12.5 mm -91.4 160.94 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' GLY . . . . . 0.467 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 98.51 -34.61 5.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.092 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -95.48 -63.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.623 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLY . . . . . 0.421 ' HA2' ' HB2' ' B' ' 90' ' ' ALA . . . 145.25 -114.34 0.76 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.354 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.8 t -121.16 134.31 24.39 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.618 0.247 . . . . 0.0 110.766 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.13 -11.75 13.35 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.611 2.207 . . . . 0.0 113.036 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.433 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 21.2 t -106.85 -67.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 111.378 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 93.8 m -64.93 -15.03 61.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 65.43 20.75 11.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.409 HG22 ' CA ' ' B' ' 64' ' ' GLY . 90.7 m -84.71 113.7 50.97 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.761 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.05 142.66 53.34 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.297 1.998 . . . . 0.0 112.245 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.421 ' HB2' ' HA2' ' B' ' 82' ' ' GLY . . . -57.86 89.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' TRP . . . . . 0.43 ' CZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -56.39 -24.07 42.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.331 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.619 HD11 HD22 ' B' ' 63' ' ' LEU . 1.3 pt -106.78 96.2 4.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -59.2 -33.65 71.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.69 155.86 17.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' B' ' 95' ' ' LEU . 12.1 mt -65.06 80.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.617 ' O ' HG22 ' B' ' 61' ' ' VAL . 19.5 mttm -77.3 169.54 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.446 HD13 ' O ' ' B' ' 96' ' ' LYS . 24.1 mm -131.59 153.92 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.277 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -111.77 87.85 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.663 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -37.72 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.19 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' GLN . . . . . 0.525 ' O ' HG21 ' A' ' 21' ' ' ILE . 12.6 mm100 -62.07 -44.15 97.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.824 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.538 HD13 HG21 ' B' ' 69' ' ' ILE . 10.4 mt -69.6 -44.87 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -65.06 -50.67 65.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.8 t -53.77 -33.05 54.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.669 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.737 ' HE3' HD21 ' A' ' 22' ' ' LEU . 23.3 ttm -67.25 -34.88 78.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.552 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.83 HD13 ' O ' ' B' ' 57' ' ' LEU . 36.0 mt -58.11 -45.09 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.597 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.28 -38.32 83.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.453 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.908 HD13 ' CE ' ' B' ' 110' ' ' LYS . 3.7 mm? -66.23 -50.3 64.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.461 ' SG ' HD11 ' B' ' 41' ' ' LEU . 52.8 t -57.97 -36.26 72.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.72 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -35.3 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.63 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.908 ' CE ' HD13 ' B' ' 107' ' ' LEU . 21.5 mtmt -60.52 -50.34 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.671 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.552 ' CD2' HG13 ' A' ' 11' ' ' VAL . 5.2 mt -58.28 -34.17 70.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.61 82.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -79.77 -31.81 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.766 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.51 HD12 ' C ' ' B' ' 110' ' ' LYS . 11.3 mt -71.09 -35.87 71.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' B' ' 34' ' ' TRP . 12.2 mt -71.45 -36.63 71.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -130.44 108.28 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.915 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.57 HD11 ' OD2' ' A' ' 96' ' ' ASP . 1.1 tp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 59.18 26.21 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 62.51 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.43 HD22 ' HE1' ' B' ' 34' ' ' TRP . 0.1 OUTLIER 61.65 -78.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 5' ' ' ALA . 2.4 ttt85 -167.65 33.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 5' ' ' ALA . 21.6 t -59.12 -30.69 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.72 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.809 ' HB3' HD21 ' B' ' 114' ' ' LEU . 1.8 mp0 -59.33 -41.58 89.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.62 HG22 HD23 ' B' ' 114' ' ' LEU . 23.9 t -69.84 -31.09 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.054 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.59 -36.33 82.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -71.88 -31.26 66.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' GLU . 28.1 t -65.66 -55.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.11 -30.05 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.11 -49.12 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -59.8 -42.49 93.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.723 ' HB3' HD21 ' A' ' 86' ' ' LEU . 6.3 ttm -56.8 -47.01 81.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -39.5 86.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -59.81 -36.5 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 18' ' ' MET . 47.3 mt -63.24 -27.77 43.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.8 HD21 ' SD ' ' B' ' 104' ' ' MET . 3.5 mt -114.62 44.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.586 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.41 -174.32 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 9.5 t -104.01 140.41 21.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.546 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.447 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 69.4 Cg_endo -91.99 -10.74 2.31 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.696 2.264 . . . . 0.0 114.773 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.57 HD11 ' CB ' ' A' ' 47' ' ' CYS . 3.1 pt -131.63 -33.71 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.479 ' N ' HG13 ' A' ' 26' ' ' ILE . 16.6 m -101.93 -15.87 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.607 0.241 . . . . 0.0 111.335 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 3.3 mm? 60.24 26.77 16.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.821 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.5 mt-10 -111.5 125.89 54.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 tp -41.2 100.21 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.582 HG22 ' HB3' ' A' ' 44' ' ' CYS . 34.3 pt -50.92 133.43 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.509 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -110.85 -29.98 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -114.31 83.19 8.1 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.748 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HG2' ' N ' ' A' ' 80' ' ' SER . 75.3 Cg_exo -50.13 125.58 15.19 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.591 2.194 . . . . 0.0 112.55 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 35' ' ' VAL . 11.5 p -140.63 119.4 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 t -78.65 138.0 38.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.0 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.542 HG21 ' HE1' ' A' ' 48' ' ' MET . 9.8 p -107.05 161.04 15.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HA ' ' CZ3' ' B' ' 91' ' ' TRP . 8.3 tttp -48.94 -26.01 2.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.496 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.8 t -91.65 21.87 4.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 t70 56.4 42.19 27.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 1.111 ' CD2' HD22 ' A' ' 63' ' ' LEU . 19.3 m80 -124.15 158.14 33.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.065 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 43' ' ' PHE . 51.5 mm -100.75 157.87 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.325 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' N ' HG22 ' A' ' 42' ' ' ILE . 45.1 m-85 -152.34 -177.21 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.54 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.582 ' HB3' HG22 ' A' ' 31' ' ' ILE . 24.6 p -128.13 45.56 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 111.345 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.62 157.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.656 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.418 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER 75.84 -49.22 0.61 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.102 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.57 ' CB ' HD11 ' A' ' 26' ' ' ILE . 22.8 m -45.59 -29.88 1.33 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.826 0.346 . . . . 0.0 111.189 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.546 ' HE2' HD11 ' A' ' 73' ' ' LEU . 3.1 mmm -78.57 -36.99 43.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 49' ' ' LEU . 7.8 mp -66.26 -55.33 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -60.11 -47.09 87.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.36 -30.8 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 48' ' ' MET . 34.4 mt -86.12 -32.13 21.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -77.86 -37.2 48.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -59.88 -31.62 69.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -124.6 115.91 21.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -59.67 104.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.62 -163.15 19.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.592 ' HB3' HG22 ' A' ' 69' ' ' THR . 54.4 Cg_exo -52.05 142.58 43.88 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.434 ' OG ' HG22 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -60.11 -175.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -150.61 105.36 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.7 t -47.78 107.76 0.79 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.301 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.05 -5.17 16.73 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.37 2.047 . . . . 0.0 112.481 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.111 HD22 ' CD2' ' A' ' 41' ' ' HIS . 4.1 mp -82.31 -34.15 28.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.011 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 p -118.25 -55.4 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 171.69 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.3 p30 172.12 139.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.63 40.95 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.434 HG22 ' OG ' ' A' ' 59' ' ' SER . 11.3 mt -148.49 150.52 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 58' ' ' PRO . 0.7 OUTLIER -123.48 -179.06 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -80.84 134.16 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? 60.44 78.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.534 ' C ' HD22 ' A' ' 73' ' ' LEU . 2.0 m -174.89 77.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.546 HD11 ' HE2' ' A' ' 48' ' ' MET . 4.2 mm? -123.46 167.21 14.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -136.03 76.38 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.74 102.31 2.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.94 151.19 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -78.49 79.54 4.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.87 ' HG2' HD11 ' B' ' 69' ' ' ILE . 6.7 ttm180 -116.84 -58.67 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.755 ' HA ' HD12 ' A' ' 82' ' ' LEU . 4.3 m-85 -99.15 33.63 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -92.63 -59.09 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.508 ' HB2' HD22 ' B' ' 47' ' ' LEU . 45.7 mt-30 -63.2 -29.88 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.782 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 79' ' ' PHE . 17.4 mt -64.88 -42.22 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.68 HG22 ' HB3' ' A' ' 22' ' ' LEU . 29.6 t -69.8 -43.36 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.04 -48.03 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.79 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -34.38 73.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -59.38 -43.64 92.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.741 ' HA ' HD12 ' A' ' 90' ' ' ILE . 27.3 mt -59.61 -40.39 87.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -63.93 -37.77 88.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 86' ' ' LEU . 15.7 mt -70.01 -30.2 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 86' ' ' LEU . 7.2 mt -78.77 -44.91 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.6 m -59.28 -49.75 76.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.8 83.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.516 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 37.4 t80 -57.99 -51.21 70.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -72.13 -28.34 63.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.0 tp -58.09 -31.49 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.57 ' OD2' HD11 ' A' ' 3' ' ' LEU . 36.0 t0 -105.47 -60.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.691 ' HB ' HD13 ' A' ' 99' ' ' LEU . 21.5 p -59.9 -46.29 89.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.61 24.59 49.69 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.583 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.691 HD13 ' HB ' ' A' ' 97' ' ' THR . 9.2 mp -90.98 164.35 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.337 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.44 148.49 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.543 ' CD2' HG21 ' A' ' 90' ' ' ILE . 8.8 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.766 0.317 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.806 ' HB3' HD23 ' B' ' 115' ' ' LEU . 12.3 m95 60.65 37.19 19.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.58 -55.53 3.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -60.16 -31.36 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.521 ' CB ' HD21 ' B' ' 115' ' ' LEU . 14.8 m -65.94 -40.19 91.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.469 ' HG2' HD13 ' B' ' 115' ' ' LEU . 20.8 mtp180 -60.58 -38.81 85.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.38 -55.18 14.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.24 73.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.526 HD12 ' HB3' ' B' ' 111' ' ' LEU . 8.7 tt -60.5 -48.73 80.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -32.45 71.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -60.64 -39.21 87.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.522 HD13 ' SD ' ' A' ' 18' ' ' MET . 7.1 tt -67.9 -34.28 76.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.07 -41.78 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.6 -22.19 43.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.609 HD12 HD23 ' A' ' 82' ' ' LEU . 12.7 mt -87.49 -20.81 26.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.209 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' B' ' 105' ' ' ILE . 5.8 mp -100.98 -22.7 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.343 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -46.99 124.78 6.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.23 144.4 35.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -28.73 69.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.11 -63.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 26.8 m -57.02 -22.64 40.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t 43.93 65.18 1.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.985 0.421 . . . . 0.0 111.414 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -169.49 -179.17 3.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.405 ' CG2' HG23 ' B' ' 105' ' ' ILE . 34.9 mm -66.77 75.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.841 ' O ' HG21 ' B' ' 105' ' ' ILE . 0.3 OUTLIER -57.2 -179.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.679 ' HA ' HD13 ' B' ' 105' ' ' ILE . 0.0 OUTLIER -152.52 127.09 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.763 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 32.8 tt0 55.19 53.69 9.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.685 ' HB3' HD22 ' B' ' 57' ' ' LEU . 58.0 Cg_endo -71.62 -176.02 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.497 2.131 . . . . 0.0 112.659 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.874 HG13 ' O ' ' B' ' 96' ' ' LYS . 4.9 t -120.23 149.42 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.066 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 10.8 m -73.78 -26.96 60.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.864 HD23 HG21 ' B' ' 75' ' ' VAL . 1.7 tm? 80.88 -51.75 0.31 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.71 -83.37 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.568 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.737 ' O ' HG21 ' B' ' 88' ' ' THR . . . -114.06 36.8 3.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.396 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 53.0 t -133.41 109.11 9.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.371 . . . . 0.0 110.685 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.1 -25.02 4.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.405 ' O ' ' CE1' ' B' ' 70' ' ' PHE . 12.8 m80 -76.52 118.79 19.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.87 HD11 ' HG2' ' A' ' 78' ' ' ARG . 3.2 mp -97.65 141.43 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -130.56 170.09 14.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.75 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 10.7 m -64.8 172.88 2.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.688 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.5 t -95.36 26.26 3.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -145.54 19.68 1.51 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 5.4 m -129.83 -45.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.153 0.501 . . . . 0.0 110.398 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.864 HG21 HD23 ' B' ' 63' ' ' LEU . 9.2 p -79.15 -29.37 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.96 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 24.4 p -51.55 -25.25 6.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.293 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.11 24.96 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -165.66 31.5 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.856 HD13 HG22 ' B' ' 75' ' ' VAL . 14.2 mm -82.42 -26.76 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.84 -27.46 36.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.638 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.9 m -108.18 -65.84 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.71 -116.18 0.73 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.42 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 40.0 t -124.39 112.53 27.86 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.54 0.21 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.66 -14.0 40.07 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.483 2.122 . . . . 0.0 112.475 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 12.9 t -80.58 -68.41 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.748 0.308 . . . . 0.0 111.252 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 31.2 p -77.86 -11.11 59.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.375 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 64.9 38.4 6.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.737 HG21 ' O ' ' B' ' 65' ' ' GLY . 91.4 m -105.17 132.97 20.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.3 143.27 76.37 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.372 2.048 . . . . 0.0 112.254 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.01 120.93 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' TRP . . . . . 0.423 ' CZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -87.29 -24.67 24.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' B' ' 96' ' ' LYS . 1.3 pt -108.45 105.89 19.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.59 -41.15 89.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -94.66 151.99 18.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' B' ' 95' ' ' LEU . 12.0 tp -65.34 79.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.874 ' O ' HG13 ' B' ' 61' ' ' VAL . 28.7 mttm -68.14 160.22 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.428 HD13 ' O ' ' B' ' 96' ' ' LYS . 27.0 mm -129.24 150.74 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -108.06 94.95 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 22.7 mtt-85 -58.62 -29.52 66.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 21' ' ' ILE . 11.3 mm100 -72.07 -59.84 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.719 HD13 HG21 ' B' ' 69' ' ' ILE . 1.5 mt -57.6 -36.77 72.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.737 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.587 ' HA ' HD12 ' B' ' 105' ' ' ILE . 47.1 t0 -63.32 -50.32 70.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.603 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.3 t -61.92 -31.89 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.635 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.8 ' SD ' HD21 ' A' ' 22' ' ' LEU . 4.2 mtp -59.97 -37.0 78.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.732 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.841 HG21 ' O ' ' B' ' 57' ' ' LEU . 10.1 mt -66.83 -45.89 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.19 -31.94 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.705 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -61.8 -48.66 79.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.47 ' SG ' HD21 ' B' ' 41' ' ' LEU . 52.8 t -60.45 -33.06 72.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.9 t -59.76 -39.95 86.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.664 ' O ' HD13 ' B' ' 114' ' ' LEU . 12.9 mtmt -61.97 -53.52 54.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.526 ' HB3' HD12 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -59.86 -36.25 76.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -59.56 -42.77 93.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.91 -34.21 44.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 10' ' ' GLU . 9.7 mp -70.22 -31.27 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.806 HD23 ' HB3' ' B' ' 34' ' ' TRP . 6.7 mt -69.63 -51.06 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -66.64 -74.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.648 HD13 HG22 ' A' ' 97' ' ' THR . 2.0 mp . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.745 0.307 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.414 ' HB2' HD23 ' A' ' 6' ' ' LEU . 57.1 m -54.38 -24.87 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.181 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.669 ' HA ' HG23 ' A' ' 8' ' ' VAL . . . 63.88 19.26 11.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.375 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.471 HD21 ' CZ2' ' B' ' 34' ' ' TRP . 0.7 OUTLIER -64.32 -28.62 69.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.987 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -177.07 47.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.756 HG11 HD11 ' A' ' 99' ' ' LEU . 35.7 t -68.24 -31.04 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.122 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.69 -50.9 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 14' ' ' VAL . 23.5 mm-40 -58.57 -54.0 51.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.729 HG13 HD23 ' B' ' 111' ' ' LEU . 21.6 t -59.79 -31.15 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.48 ' HA ' HD12 ' A' ' 15' ' ' ILE . 13.3 tm0? -72.03 -33.64 68.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.817 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -72.23 -39.33 68.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.76 HG22 ' HE3' ' B' ' 110' ' ' LYS . 20.8 t -59.79 -42.0 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 12' ' ' GLN . 5.5 mt -68.14 -31.25 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.47 -41.77 60.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.996 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -60.98 -54.2 47.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.682 ' HA ' HD12 ' A' ' 21' ' ' ILE . 13.7 ptp -57.37 -32.06 66.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.39 -38.59 84.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -62.37 -30.6 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 18' ' ' MET . 29.9 mt -68.44 -29.32 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.786 HD12 HG22 ' A' ' 83' ' ' VAL . 3.5 mm? -111.87 32.66 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.31 -168.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.466 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 9.5 t -116.21 138.83 24.53 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.952 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 24' ' ' CYS . 63.0 Cg_endo -92.91 11.6 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.943 2.429 . . . . 0.0 113.951 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.78 HD11 ' SG ' ' A' ' 47' ' ' CYS . 1.9 pp -139.22 -53.72 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.657 ' N ' HD12 ' A' ' 26' ' ' ILE . 27.7 p -105.6 -1.61 24.47 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.466 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 58.51 32.03 21.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.514 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 55.8 mt-10 -110.03 123.36 49.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.621 0.248 . . . . 0.0 110.885 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.051 HD12 HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -36.57 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.466 -179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.78 HG22 ' SG ' ' A' ' 44' ' ' CYS . 1.4 pp -53.53 113.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.578 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -39.26 13.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.721 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -102.41 89.24 1.63 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.681 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.03 102.09 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.506 2.137 . . . . 0.0 112.401 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.639 HG21 ' CE ' ' A' ' 45' ' ' LYS . 12.8 p -116.1 125.55 73.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.3 p -81.58 119.58 23.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.056 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.469 HG21 ' CD1' ' A' ' 43' ' ' PHE . 18.1 p -86.01 162.9 18.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.712 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -47.87 -27.4 2.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.542 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 t -94.04 25.3 3.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.215 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 53.59 46.16 26.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 111.211 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.951 ' ND1' HD22 ' A' ' 63' ' ' LEU . 33.8 m-70 -122.89 154.6 38.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.44 ' CG2' HD13 ' A' ' 31' ' ' ILE . 39.8 mm -98.1 149.84 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.379 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 28.3 m-85 -149.67 -176.82 5.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.707 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.78 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.3 m -100.33 22.66 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.056 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.639 ' CE ' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER 68.84 -65.47 0.28 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.023 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.823 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -55.58 -30.15 60.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.78 ' SG ' HD11 ' A' ' 26' ' ' ILE . 25.7 m -57.96 -36.19 72.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.679 ' SD ' HD11 ' A' ' 73' ' ' LEU . 15.1 mmt -62.43 -40.84 97.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 46' ' ' PHE . 5.5 mt -61.33 -55.58 30.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -39.9 95.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 59' ' ' SER . 14.0 tp -64.87 -35.97 82.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 59' ' ' SER . 4.0 mp -78.91 -32.14 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -82.58 -31.0 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -59.6 109.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt 61.24 155.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 132.32 44.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.34 168.31 12.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.29 -173.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.605 2.204 . . . . 0.0 112.395 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.685 ' HB3' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -82.05 -35.89 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 62.56 100.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 t -53.37 108.34 1.08 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.39 4.86 6.25 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.562 2.175 . . . . 0.0 112.919 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.951 HD22 ' ND1' ' A' ' 41' ' ' HIS . 2.1 mp -98.42 -34.03 10.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.714 0.292 . . . . 0.0 111.228 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.8 m -113.39 -81.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.101 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -177.56 63.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.987 0.422 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 64.86 134.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.72 39.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.565 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 69' ' ' THR . 6.9 mt -148.39 163.44 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.602 ' O ' HD21 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -155.87 -58.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.508 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -177.93 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.053 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? -69.32 74.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.666 ' C ' HD22 ' A' ' 73' ' ' LEU . 2.6 m -176.95 36.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.679 HD11 ' SD ' ' A' ' 48' ' ' MET . 3.9 mm? -121.99 142.04 50.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -151.68 99.98 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.13 100.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.1 p -99.83 156.41 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 77' ' ' THR . 90.5 m -103.57 64.76 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.682 ' HG2' HD11 ' B' ' 69' ' ' ILE . 4.9 mtm105 -114.73 -44.66 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.725 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.694 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.3 m-85 -104.68 31.43 4.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 p -86.32 -58.44 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.487 ' HB2' HD11 ' B' ' 47' ' ' LEU . 9.1 mm-40 -67.78 -31.25 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 79' ' ' PHE . 66.6 mt -59.75 -40.85 89.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.051 HG13 HD12 ' A' ' 30' ' ' LEU . 42.8 t -70.91 -51.57 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.01 -44.31 93.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -58.97 -38.63 79.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.816 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.4 -39.56 83.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.561 HD21 ' HG ' ' A' ' 30' ' ' LEU . 3.5 mm? -59.83 -41.57 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -64.2 -32.42 73.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.816 HD12 ' HA ' ' A' ' 86' ' ' LEU . 17.4 mt -72.82 -42.11 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.818 HD13 ' CE2' ' A' ' 101' ' ' TYR . 31.2 mt -74.63 -42.21 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 36.6 m -60.39 -37.64 81.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.728 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -69.77 -36.95 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.3 -51.88 67.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -60.41 -31.17 70.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.77 -31.29 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.487 ' CB ' HD11 ' A' ' 3' ' ' LEU . 3.5 t0 -104.88 -69.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.648 HG22 HD13 ' A' ' 3' ' ' LEU . 32.2 p -65.83 -41.83 91.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 64.34 26.47 70.65 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.548 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.756 HD11 HG11 ' A' ' 8' ' ' VAL . 12.6 mt -82.11 152.38 26.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.744 0.307 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.2 132.89 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.818 ' CE2' HD13 ' A' ' 90' ' ' ILE . 3.2 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.885 0.374 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.808 ' HB3' HD23 ' B' ' 115' ' ' LEU . 1.6 m95 61.5 38.24 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.16 -64.35 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.728 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -62.92 -31.47 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -69.35 -31.61 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.448 ' NH2' ' CE1' ' B' ' 116' ' ' HIS . 0.1 OUTLIER -66.32 -41.91 88.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -53.5 52.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.432 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -59.81 -32.38 70.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.074 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.694 HD22 ' CD1' ' B' ' 115' ' ' LEU . 14.7 tp -59.9 -46.05 90.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -61.53 -34.88 76.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -60.08 -36.03 76.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' B' ' 48' ' ' LEU . 2.0 tt -70.53 -41.42 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.69 -30.35 67.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.79 -22.0 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.506 ' CB ' HD21 ' A' ' 82' ' ' LEU . 3.3 mm? -92.57 -25.81 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.51 ' CD2' HD23 ' B' ' 44' ' ' LEU . 3.7 mm? -84.54 -28.77 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.199 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 122.19 8.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.052 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 0.62 ' HB2' HD23 ' B' ' 57' ' ' LEU . 43.9 t -58.95 156.39 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.45 ' CB ' ' CE2' ' B' ' 70' ' ' PHE . 0.4 OUTLIER -81.86 -36.44 28.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.438 ' HD3' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -94.37 -63.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.786 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.404 ' O ' ' CG2' ' B' ' 54' ' ' THR . 21.7 m -59.81 -19.42 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.222 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 4.7 t 44.32 67.21 0.71 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 111.431 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -177.5 -174.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 33.9 mm -67.96 127.58 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.009 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.778 ' O ' HD13 ' B' ' 105' ' ' ILE . 0.4 OUTLIER -112.85 172.27 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.455 ' HA ' HD13 ' B' ' 105' ' ' ILE . 0.0 OUTLIER -142.77 119.17 10.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.741 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 3.6 tt0 57.56 53.34 6.09 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.618 ' HG3' HD13 ' B' ' 57' ' ' LEU . 60.8 Cg_endo -72.74 -168.38 0.4 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.625 2.217 . . . . 0.0 112.458 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.504 HG13 ' O ' ' B' ' 96' ' ' LYS . 30.9 t -136.51 152.1 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 17.8 p -98.09 125.34 43.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.747 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.475 HD23 ' CG1' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -58.96 -67.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.061 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -146.86 -99.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.38 49.22 0.86 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.3 p -122.75 -146.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -114.89 -30.68 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -59.9 123.9 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.682 HD11 ' HG2' ' A' ' 78' ' ' ARG . 3.6 mt -127.16 147.77 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.002 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 1.3 m-85 -140.82 162.73 34.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 13.8 p -71.62 163.01 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.6 t -69.41 70.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -178.98 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 98.0 m -64.28 -46.95 81.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.475 ' CG1' HD23 ' B' ' 63' ' ' LEU . 35.5 m -76.7 -32.48 20.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.26 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.443 ' HA ' HD11 ' B' ' 95' ' ' LEU . 25.2 t -48.06 -28.49 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.341 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.29 -49.39 64.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 12.3 p -137.36 56.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.649 HD11 ' CD1' ' B' ' 92' ' ' ILE . 0.6 OUTLIER -95.62 139.7 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.404 179.813 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 80' ' ' GLY . . . . . 0.443 ' N ' HG13 ' B' ' 79' ' ' ILE . . . 112.4 -29.65 8.14 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.809 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -75.24 -28.93 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' B' ' 89' ' ' PRO . . . 106.71 139.66 9.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.401 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 43.8 t -56.45 127.06 71.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.506 0.193 . . . . 0.0 111.047 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.05 -17.62 11.83 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.47 2.113 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.72 -66.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 31.8 p -76.4 -6.6 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.394 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 62.33 34.28 15.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 18.3 m -109.94 138.25 20.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' PRO . . . . . 0.402 ' HA ' ' HA3' ' B' ' 82' ' ' GLY . 64.6 Cg_endo -73.64 144.49 35.67 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.454 2.103 . . . . 0.0 112.372 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.56 95.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.99 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -57.23 -23.29 46.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.268 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.649 ' CD1' HD11 ' B' ' 79' ' ' ILE . 1.5 pt -102.01 93.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.15 -30.46 69.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -99.22 161.07 13.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' B' ' 76' ' ' SER . 4.3 mm? -71.85 72.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.642 ' HD2' HG22 ' B' ' 92' ' ' ILE . 9.4 mttp -69.37 175.74 3.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.473 HG22 ' N ' ' B' ' 98' ' ' ASN . 22.2 mm -132.66 158.88 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.188 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ASN . . . . . 0.473 ' N ' HG22 ' B' ' 97' ' ' ILE . 9.6 m120 -113.57 84.94 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -30.47 66.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.033 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -69.01 -45.44 70.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' B' ' 101' ' ' LEU . 12.4 mt -71.29 -32.41 68.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.827 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.539 ' HA ' HD12 ' B' ' 105' ' ' ILE . 40.3 t0 -61.44 -53.39 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' SER . . . . . 0.512 ' O ' HD23 ' B' ' 107' ' ' LEU . 0.3 OUTLIER -63.24 -30.33 71.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.626 ' HG2' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -59.18 -43.42 92.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.778 HD13 ' O ' ' B' ' 57' ' ' LEU . 4.7 mt -62.64 -49.9 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -30.29 68.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.996 HD11 ' HB3' ' A' ' 17' ' ' ALA . 2.4 mm? -68.9 -51.18 42.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -31.4 69.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -65.65 -38.22 88.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.76 ' HE3' HG22 ' A' ' 14' ' ' VAL . 27.6 mtmt -60.44 -50.28 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' B' ' 114' ' ' LEU . 13.3 mt -59.95 -35.55 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -58.86 -42.85 90.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -73.96 -31.19 62.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' B' ' 111' ' ' LEU . 8.2 mt -74.31 -44.74 51.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' B' ' 34' ' ' TRP . 4.5 mt -60.35 -50.6 72.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' HIS . . . . . 0.448 ' CE1' ' NH2' ' B' ' 38' ' ' ARG . 10.8 m-70 -80.31 -31.04 38.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 t0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.622 HD21 ' HB1' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.477 ' HB2' HD23 ' A' ' 6' ' ' LEU . 0.7 OUTLIER 62.39 18.57 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.082 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.92 22.64 5.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.739 0.304 . . . . 0.0 111.416 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 6' ' ' LEU . 2.8 pp -87.95 109.42 19.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 56.26 30.66 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.46 -30.78 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.98 -47.44 62.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.712 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.4 mp0 -58.65 -55.93 28.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.88 HG22 HD13 ' B' ' 114' ' ' LEU . 32.8 t -58.92 -32.35 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.85 -44.09 97.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -71.91 -34.39 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.773 HG13 HD23 ' B' ' 107' ' ' LEU . 39.9 t -59.81 -58.64 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.596 HD11 HG12 ' A' ' 11' ' ' VAL . 5.1 mt -55.56 -34.2 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -68.37 -35.56 77.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.711 ' HB3' HD21 ' B' ' 107' ' ' LEU . . . -70.66 -35.66 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.717 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.79 ' HB3' HD11 ' A' ' 86' ' ' LEU . 7.0 tpp -61.61 -35.72 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.31 -39.75 78.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.853 HD13 ' HG2' ' B' ' 104' ' ' MET . 55.5 mt -59.08 -42.66 87.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.72 HD23 ' CD2' ' A' ' 79' ' ' PHE . 1.2 mp -107.57 40.38 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -92.11 -178.27 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.428 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.8 t -99.27 139.58 21.05 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.468 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 62.4 Cg_endo -92.79 -12.53 1.58 Allowed 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.739 2.293 . . . . 0.0 114.602 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.842 HD11 ' HA ' ' A' ' 47' ' ' CYS . 4.0 pt -129.39 -34.95 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.519 ' N ' HG13 ' A' ' 26' ' ' ILE . 21.4 m -98.63 -18.87 17.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.759 0.314 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.428 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 2.1 mm? 62.08 26.73 16.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.778 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.7 mm-40 -113.76 127.13 55.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.758 HD11 HG13 ' A' ' 83' ' ' VAL . 22.0 tp -38.91 101.82 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 111.428 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 44' ' ' CYS . 40.4 pt -51.72 134.91 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.617 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.19 -38.24 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.634 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -114.53 81.77 7.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.521 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.403 ' HG2' ' N ' ' A' ' 80' ' ' SER . 71.6 Cg_exo -48.59 137.2 26.4 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.753 2.302 . . . . 0.0 112.781 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.407 HG22 ' HD3' ' A' ' 45' ' ' LYS . 4.8 t -138.08 126.31 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.826 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 p -93.99 109.68 21.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.599 HG21 ' CE2' ' A' ' 43' ' ' PHE . 5.2 p -75.44 159.68 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HD3' ' CD1' ' B' ' 91' ' ' TRP . 11.4 mmtt -49.55 -26.37 3.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.468 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.7 m -92.63 21.79 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 t0 57.13 53.16 8.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.351 . . . . 0.0 111.18 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.941 ' ND1' HD22 ' A' ' 63' ' ' LEU . 89.2 m-70 -125.62 147.68 49.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.884 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.403 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 41.7 mm -94.87 152.02 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.066 0.46 . . . . 0.0 111.386 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.599 ' CE2' HG21 ' A' ' 37' ' ' THR . 71.7 m-85 -157.19 -177.73 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.732 ' HB3' HG22 ' A' ' 31' ' ' ILE . 19.8 p -116.48 31.72 6.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.795 0.331 . . . . 0.0 110.975 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HD3' HG22 ' A' ' 35' ' ' VAL . 3.5 mmmm 69.18 -64.34 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.535 ' HA ' HD12 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -47.57 -29.16 2.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.842 ' HA ' HD11 ' A' ' 26' ' ' ILE . 85.8 m -62.95 -38.06 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.0 mmt -63.89 -31.27 72.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 46' ' ' PHE . 18.5 mt -66.79 -58.62 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -64.56 -36.02 82.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tp -70.65 -31.29 68.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 59' ' ' SER . 29.7 mt -79.88 -41.97 25.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -93.42 1.64 56.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.404 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.787 0.327 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -88.73 -78.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -179.98 132.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.91 -155.87 35.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.59 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.68 153.54 5.48 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.663 2.242 . . . . 0.0 112.439 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.618 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -60.61 -169.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.782 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -152.09 99.1 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.004 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.6 t -46.57 104.86 0.43 Allowed Pre-proline 0 CA--C 1.53 0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.236 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.44 -3.69 14.24 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.456 2.104 . . . . 0.0 112.766 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.941 HD22 ' ND1' ' A' ' 41' ' ' HIS . 5.0 mp -93.45 -25.66 17.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.727 0.298 . . . . 0.0 111.302 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 96.1 m -119.86 -81.94 0.64 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.081 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.9 61.62 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.965 0.412 . . . . 0.0 110.756 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 63.97 133.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.2 41.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 69' ' ' THR . 20.6 mt -140.16 159.41 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.263 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -133.71 -174.24 3.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -67.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.25 93.33 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -160.8 29.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.99 -178.27 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -140.04 86.14 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.46 101.52 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -126.39 166.17 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.7 m -93.22 80.97 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.843 ' CD ' HD11 ' B' ' 69' ' ' ILE . 41.6 mtm-85 -116.98 -59.05 2.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.72 ' CD2' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -98.96 30.61 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -91.13 -64.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.642 ' CB ' HD21 ' B' ' 47' ' ' LEU . 7.4 mt-30 -59.64 -30.0 68.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.664 ' HB3' HD21 ' A' ' 22' ' ' LEU . 15.2 mt -63.18 -36.87 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.758 HG13 HD11 ' A' ' 30' ' ' LEU . 34.3 t -71.18 -52.94 23.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.09 -39.47 75.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.48 -42.54 92.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.706 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 18' ' ' MET . 0.2 OUTLIER -53.36 -47.2 69.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' A' ' 90' ' ' ILE . 7.8 mp -58.79 -32.02 68.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -71.55 -34.2 69.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.849 HG12 ' HB1' ' B' ' 40' ' ' ALA . 34.1 mt -74.49 -43.01 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.972 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.8 mt -63.59 -39.63 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -45.52 92.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.948 ' HB1' ' CG ' ' B' ' 36' ' ' HIS . . . -59.71 -33.34 71.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 97' ' ' THR . 17.5 t80 -59.23 -49.14 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -68.88 -27.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 92' ' ' ALA . 12.5 mt -60.12 -46.88 88.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.083 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -94.73 -65.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.182 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.598 HG21 ' CE1' ' A' ' 93' ' ' PHE . 1.8 p -64.97 -58.04 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.732 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.55 14.48 56.89 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.542 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.426 ' CD2' ' HB ' ' A' ' 97' ' ' THR . 3.1 mm? -79.18 151.69 31.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 117.066 0.433 . . . . 0.0 110.846 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.45 168.49 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.421 ' CD1' HG23 ' A' ' 90' ' ' ILE . 55.8 t80 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.622 ' HB1' HD21 ' A' ' 3' ' ' LEU . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.564 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 19.5 m95 58.6 28.1 16.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.45 -53.99 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.948 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 1.5 p80 -62.48 -29.88 70.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.847 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.408 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 24.5 t -66.82 -39.02 87.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -49.41 77.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.811 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.11 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.003 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.849 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -67.37 -41.54 84.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.692 HD12 ' HB3' ' B' ' 111' ' ' LEU . 3.6 tt -58.88 -46.49 87.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.54 -31.39 72.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -67.41 -43.89 80.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.655 ' O ' HD23 ' B' ' 44' ' ' LEU . 4.0 tt -66.03 -37.01 84.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.808 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.65 -32.17 73.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -57.92 -26.92 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.646 HD23 ' HG ' ' A' ' 82' ' ' LEU . 6.7 mp -93.46 16.21 14.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.259 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.542 HD11 HD22 ' B' ' 101' ' ' LEU . 1.5 mp -131.53 -39.6 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.184 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -44.55 111.76 0.34 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.301 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 50.6 t -54.48 154.69 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.61 -37.6 41.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.409 ' HD3' ' CD2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -88.88 -61.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' THR . 93.5 m -60.9 -19.56 60.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.59 45.01 7.7 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.855 0.359 . . . . 0.0 111.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -157.7 -168.01 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' B' ' 105' ' ' ILE . 34.5 mm -63.08 146.22 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.483 HD12 ' HG ' ' B' ' 48' ' ' LEU . 76.4 mt -86.76 165.6 15.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.27 100.36 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.584 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.588 ' CG ' HG21 ' B' ' 97' ' ' ILE . 6.4 tt0 56.15 51.84 6.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 73.9 Cg_endo -75.35 175.4 11.32 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.62 2.213 . . . . 0.0 112.587 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.941 HG22 HD13 ' B' ' 97' ' ' ILE . 47.5 t -136.1 143.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.54 167.47 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.762 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.479 HD23 ' CG1' ' B' ' 75' ' ' VAL . 0.5 OUTLIER -107.78 -51.83 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -59.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.96 42.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.421 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 p -120.9 30.64 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.006 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 61.96 19.3 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.16 124.39 50.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.843 HD11 ' CD ' ' A' ' 78' ' ' ARG . 15.5 mt -138.74 142.09 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.409 ' CD2' ' HD3' ' B' ' 52' ' ' ARG . 1.6 m-85 -147.33 178.1 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 21.9 m -59.73 173.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.652 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.3 OUTLIER -63.08 -42.56 99.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -95.67 19.42 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.234 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.63 -30.8 11.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.479 ' CG1' HD23 ' B' ' 63' ' ' LEU . 33.4 m -104.66 -36.74 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.338 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.403 ' HA ' ' CG2' ' B' ' 79' ' ' ILE . 37.6 t -41.42 -30.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.851 -179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -47.96 -44.03 29.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.876 0.37 . . . . 0.0 110.983 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' CYS . . . . . 0.845 ' O ' HG22 ' B' ' 81' ' ' THR . 6.6 m -136.48 12.12 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.103 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 1.102 HD11 HD11 ' B' ' 92' ' ' ILE . 0.1 OUTLIER -56.9 133.55 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.402 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.6 -26.51 10.09 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.845 HG22 ' O ' ' B' ' 78' ' ' CYS . 12.0 t -94.61 -30.95 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.72 140.25 5.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.42 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' CYS . . . . . 0.423 ' N ' HD11 ' B' ' 63' ' ' LEU . 53.8 t -58.41 116.32 14.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.97 -2.36 12.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.436 2.091 . . . . 0.0 112.698 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 t -103.14 -24.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.774 0.321 . . . . 0.0 111.281 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.06 -19.91 13.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 65.99 49.07 1.66 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.474 HG23 ' HD2' ' B' ' 89' ' ' PRO . 89.9 m -132.58 139.31 34.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' B' ' 88' ' ' THR . 57.2 Cg_endo -71.08 149.41 58.45 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.436 2.091 . . . . 0.0 112.317 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.5 145.84 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' TRP . . . . . 0.417 ' CD1' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -128.15 18.35 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 1.102 HD11 HD11 ' B' ' 79' ' ' ILE . 15.7 pt -106.76 -37.82 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 70.54 -59.63 0.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.022 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.96 -176.46 5.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.687 HD13 HG11 ' B' ' 61' ' ' VAL . 4.4 mm? -101.61 72.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.739 ' O ' HG13 ' B' ' 61' ' ' VAL . 0.0 OUTLIER -70.79 140.79 51.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.941 HD13 HG22 ' B' ' 61' ' ' VAL . 25.1 mm -104.78 137.82 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -80.63 87.18 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.792 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -58.96 -30.58 68.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -71.93 -42.5 66.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.542 HD22 HD11 ' B' ' 48' ' ' LEU . 7.5 mt -68.42 -34.7 76.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.761 ' HA ' HD12 ' B' ' 105' ' ' ILE . 5.4 m-20 -61.33 -43.92 98.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.645 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.7 m -63.01 -33.43 75.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.787 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.853 ' HG2' HD13 ' A' ' 21' ' ' ILE . 5.8 mtp -57.86 -44.39 86.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' B' ' 102' ' ' ASP . 4.0 mt -59.28 -57.17 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.238 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -55.7 -47.57 76.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.773 HD23 HG13 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -59.03 -43.87 91.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.4 t -58.49 -31.14 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.668 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -36.54 82.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.65 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.65 ' CE ' HD23 ' B' ' 107' ' ' LEU . 5.3 mtmm -58.33 -52.47 65.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.788 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.692 ' HB3' HD12 ' B' ' 41' ' ' LEU . 0.4 OUTLIER -57.5 -35.58 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.968 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 112' ' ' ARG . . . . . 0.707 ' HA ' HD12 ' B' ' 115' ' ' LEU . 5.1 mtt180 -58.5 -49.07 78.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -64.88 -42.27 94.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.88 HD13 HG22 ' A' ' 11' ' ' VAL . 8.6 mt -65.37 -31.75 73.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' B' ' 112' ' ' ARG . 10.1 mt -63.68 -37.95 89.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -127.93 106.9 9.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.867 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.798 HD22 HG22 ' A' ' 97' ' ' THR . 1.2 tt . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.903 0.382 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.627 ' HA ' HG21 ' A' ' 8' ' ' VAL . 3.9 m -166.35 30.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 4' ' ' SER . . . 175.66 -34.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.331 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 7' ' ' ARG . 3.3 pp -52.19 -38.54 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.337 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.834 ' HB2' HD12 ' A' ' 6' ' ' LEU . 2.7 mtt85 -171.88 48.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.832 ' CG1' HD22 ' A' ' 99' ' ' LEU . 18.7 t -104.8 -42.61 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -61.4 -36.95 81.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 14' ' ' VAL . 62.8 mm-40 -67.49 -49.71 62.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.747 HG13 ' CD2' ' B' ' 111' ' ' LEU . 27.1 t -66.16 -38.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.12 -39.03 84.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -69.12 -32.6 72.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 10' ' ' GLU . 29.9 t -68.26 -52.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.662 HD11 HG12 ' A' ' 11' ' ' VAL . 4.0 mt -58.2 -26.74 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.35 -36.63 68.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.697 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -71.46 -56.27 6.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.872 ' HE3' HD12 ' B' ' 107' ' ' LEU . 8.9 ptp -55.48 -28.4 54.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.408 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 3.7 tt0 -70.71 -38.25 73.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -62.98 -31.38 72.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 18' ' ' MET . 43.9 mt -64.21 -37.85 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.815 HD21 ' CE ' ' B' ' 104' ' ' MET . 4.3 mt -98.77 30.35 3.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.94 -167.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -129.56 137.74 31.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.68 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.61 40.04 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.889 2.392 . . . . 0.0 114.315 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.453 HD12 ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -153.24 -38.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.388 179.134 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.51 -9.46 12.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.994 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 62.02 59.75 1.63 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.818 0.342 . . . . 0.0 110.602 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -155.54 173.12 17.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.165 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.6 HD23 ' CG1' ' A' ' 83' ' ' VAL . 6.4 mp -56.66 -174.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.769 HD13 ' CG2' ' A' ' 42' ' ' ILE . 2.1 pt -139.29 94.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -60.35 -51.93 67.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -105.7 84.22 1.17 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.792 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.696 ' HB3' HD12 ' A' ' 31' ' ' ILE . 30.8 Cg_endo -64.1 119.06 5.99 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.56 2.173 . . . . 0.0 112.319 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 HD12 ' A' ' 73' ' ' LEU . 11.3 p -125.04 121.32 60.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.7 p -75.21 115.08 14.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.682 ' HA ' HD13 ' A' ' 73' ' ' LEU . 10.2 p -80.39 164.08 23.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.75 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -28.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.572 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.455 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 3.6 m -94.77 26.08 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.25 44.95 29.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.214 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.907 ' ND1' HD22 ' A' ' 63' ' ' LEU . 80.3 m-70 -117.85 152.39 35.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.006 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.769 ' CG2' HD13 ' A' ' 31' ' ' ILE . 16.3 mm -100.53 137.58 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.258 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CE2' HD12 ' A' ' 26' ' ' ILE . 15.7 m-85 -135.69 -179.54 5.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.65 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.669 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.8 m -97.3 26.41 4.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.971 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.38 -68.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.611 ' CD1' HD22 ' A' ' 49' ' ' LEU . 2.3 t80 -59.59 -29.03 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m -56.78 -30.48 63.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.566 ' O ' HD12 ' A' ' 52' ' ' LEU . 8.5 mmt -75.14 -35.79 61.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 46' ' ' PHE . 8.7 mp -60.16 -44.74 94.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -39.31 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.23 -30.56 70.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 48' ' ' MET . 2.7 mt -79.9 -30.7 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -89.34 -30.51 18.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -58.92 -31.25 68.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -121.54 142.7 49.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -60.05 130.09 45.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.04 -156.63 50.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -50.89 142.98 31.75 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.655 2.237 . . . . 0.0 112.33 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.48 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -59.84 -175.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -132.59 108.15 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.446 ' HA ' HD11 ' A' ' 68' ' ' ILE . 48.1 t -56.91 109.57 1.8 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.14 -15.02 20.66 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.426 2.084 . . . . 0.0 112.717 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.907 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.8 mp -79.7 -29.17 40.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.189 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 m -137.21 20.0 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.296 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? 49.95 27.46 2.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.234 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -172.42 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -123.35 101.26 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 69' ' ' THR . 5.6 mt -82.48 158.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -124.88 -176.71 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -82.4 -31.58 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -98.52 30.76 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -113.72 -33.54 5.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 37' ' ' THR . 3.8 mm? -58.66 153.18 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -141.54 89.11 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.58 101.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -168.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.5 m -131.85 75.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.591 ' CB ' HD11 ' B' ' 69' ' ' ILE . 0.4 OUTLIER -113.53 -37.15 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.765 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.766 ' CD1' HD22 ' A' ' 22' ' ' LEU . 1.7 m-85 -121.09 34.11 5.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.811 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -95.24 -59.75 1.82 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.5 ' HB2' HD11 ' B' ' 47' ' ' LEU . 14.2 mt-30 -57.58 -30.14 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' B' ' 47' ' ' LEU . 0.4 OUTLIER -68.34 -34.04 75.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 79' ' ' PHE . 36.2 t -72.72 -53.05 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.89 -46.16 90.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.788 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -60.17 -32.55 71.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.728 HD11 ' SD ' ' A' ' 18' ' ' MET . 10.2 tp -64.77 -42.44 95.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.9 tp -58.78 -36.73 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.608 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -65.38 -32.68 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.503 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.59 HD12 HD12 ' A' ' 86' ' ' LEU . 43.9 mt -73.56 -32.82 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.778 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 87' ' ' LEU . 6.3 mt -80.56 -30.35 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.011 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.63 -44.31 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' B' ' 36' ' ' HIS . . . -69.47 -37.18 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.475 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 58.9 t80 -58.91 -60.7 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -26.95 44.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -54.04 51.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.668 ' O ' HD13 ' A' ' 3' ' ' LEU . 11.7 t0 -100.55 32.98 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.798 HG22 HD22 ' A' ' 3' ' ' LEU . 30.7 p -157.56 123.96 4.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.61 11.19 53.33 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.697 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.832 HD22 ' CG1' ' A' ' 8' ' ' VAL . 3.4 mp -88.8 -25.97 21.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.933 0.397 . . . . 0.0 110.827 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 53.74 173.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.446 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.817 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.849 0.357 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.739 ' CH2' HD21 ' A' ' 3' ' ' LEU . 18.8 m95 60.81 31.69 20.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.27 -53.33 4.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.528 ' HB2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -61.77 -31.22 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.0 m -75.64 -31.3 59.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -59.94 -46.07 90.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.76 -46.53 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.539 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -60.11 -32.98 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.531 HD12 ' HB3' ' B' ' 111' ' ' LEU . 8.2 tt -60.16 -51.5 69.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -35.02 74.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -58.96 -34.16 71.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.645 HD23 HD23 ' B' ' 48' ' ' LEU . 7.3 tt -78.15 -34.56 49.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.3 -27.94 66.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -31.74 62.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.541 ' HB3' HD11 ' A' ' 82' ' ' LEU . 3.9 mm? -81.13 -30.7 34.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.796 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.786 ' HA ' HD12 ' B' ' 57' ' ' LEU . 3.7 mm? -84.24 -21.69 31.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.87 114.84 7.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 49.9 t -59.55 156.98 12.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.73 -32.05 17.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.88 -63.34 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 61.1 m -67.28 -14.27 62.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.339 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.3 t 44.59 50.09 8.41 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.979 0.418 . . . . 0.0 111.383 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -149.61 -177.07 5.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.771 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.6 123.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.004 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' B' ' 48' ' ' LEU . 5.3 mt -58.69 141.58 52.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.31 104.32 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.499 ' N ' ' HD3' ' B' ' 60' ' ' PRO . 0.4 OUTLIER 51.12 62.15 11.88 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.471 -179.333 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.765 ' CG ' HD22 ' B' ' 57' ' ' LEU . 2.1 Cg_endo -82.76 -164.88 0.29 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.039 2.492 . . . . 0.0 112.641 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.609 HG13 HG11 ' B' ' 75' ' ' VAL . 7.7 p -156.94 158.7 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.481 ' N ' HG22 ' B' ' 61' ' ' VAL . 20.6 p -83.45 133.96 34.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.629 HD13 ' O ' ' B' ' 63' ' ' LEU . 0.8 OUTLIER -59.48 -36.3 75.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.18 -54.81 0.19 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.92 42.47 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.554 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.85 -52.49 2.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.693 0.282 . . . . 0.0 111.065 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 164.86 -29.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -64.57 141.51 58.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.407 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.591 HD11 ' CB ' ' A' ' 78' ' ' ARG . 6.4 mt -151.04 134.58 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.439 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' B' ' 69' ' ' ILE . 3.8 m-85 -151.54 173.38 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.943 0.402 . . . . 0.0 111.145 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.55 ' O ' HG23 ' B' ' 75' ' ' VAL . 10.0 p -65.57 159.8 23.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.734 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -50.96 -26.13 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.379 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.27 17.65 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.418 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 25.0 m -145.07 19.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.245 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.619 ' O ' HG12 ' B' ' 75' ' ' VAL . 21.2 t -134.66 32.49 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.166 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 34.3 t -122.45 -35.99 3.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.216 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -57.88 118.41 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 111.115 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 3.2 m 61.76 30.48 18.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.577 HD11 HD21 ' B' ' 63' ' ' LEU . 28.9 mm -108.54 158.74 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.989 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' GLY . . . . . 0.499 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 101.14 -26.41 24.72 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.953 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -105.53 -28.25 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 0.0 110.609 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.75 139.01 3.76 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.469 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.47 134.97 93.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.572 0.225 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.52 -22.05 6.97 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.669 2.246 . . . . 0.0 112.627 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.89 -67.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.293 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 13.8 m -71.38 -15.0 62.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.228 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 63.19 27.19 15.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.808 0.337 . . . . 0.0 110.752 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 87.8 m -102.95 123.17 43.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.33 142.92 45.52 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.465 2.11 . . . . 0.0 112.281 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.71 80.57 8.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -23.89 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.306 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.462 HG21 ' SG ' ' B' ' 62' ' ' CYS . 0.6 OUTLIER -59.32 -45.43 93.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.307 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.15 -63.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.03 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.81 172.54 10.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' B' ' 95' ' ' LEU . 7.6 tp -102.04 72.84 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.428 ' HZ3' HG22 ' B' ' 92' ' ' ILE . 1.0 OUTLIER -77.13 -173.65 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.733 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.413 HG23 ' O ' ' B' ' 60' ' ' PRO . 17.8 mm -133.74 147.68 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 111.251 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -92.63 85.18 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.572 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -51.38 -28.84 13.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.357 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' GLN . . . . . 0.498 ' O ' HG21 ' A' ' 21' ' ' ILE . 5.1 mm-40 -70.06 -41.87 73.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.689 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' B' ' 101' ' ' LEU . 11.6 mt -72.67 -34.23 67.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.603 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.818 ' HA ' HD12 ' B' ' 105' ' ' ILE . 4.7 m-20 -59.63 -59.39 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.766 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -29.59 67.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.815 ' CE ' HD21 ' A' ' 22' ' ' LEU . 28.4 tpp -64.46 -44.0 92.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' B' ' 102' ' ' ASP . 4.8 mt -56.59 -54.44 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -29.98 69.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.669 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.872 HD12 ' HE3' ' A' ' 18' ' ' MET . 0.4 OUTLIER -60.99 -50.66 72.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -35.5 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 41.5 m -59.94 -33.71 72.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.673 ' HE2' HD13 ' B' ' 107' ' ' LEU . 0.9 OUTLIER -67.34 -46.06 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.747 ' CD2' HG13 ' A' ' 11' ' ' VAL . 12.7 mt -59.88 -39.11 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' ARG . . . . . 0.421 ' HD2' ' CD2' ' B' ' 116' ' ' HIS . 0.1 OUTLIER -64.95 -47.73 76.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -58.74 -31.37 68.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 11' ' ' VAL . 10.9 mt -76.55 -30.48 57.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.598 HD23 ' HB3' ' B' ' 34' ' ' TRP . 56.0 mt -59.96 -67.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' HIS . . . . . 0.421 ' CD2' ' HD2' ' B' ' 112' ' ' ARG . 16.3 p80 -76.23 91.26 3.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.217 0.532 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.881 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.946 HD23 ' HB1' ' B' ' 33' ' ' ALA . 10.9 mp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m 66.6 11.52 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.504 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.42 23.71 3.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.588 0.232 . . . . 0.0 111.534 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -71.18 -29.99 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.998 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 11' ' ' VAL . 5.5 ptp180 -173.81 35.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.034 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.59 HG11 HD11 ' A' ' 99' ' ' LEU . 22.8 t -74.5 -51.69 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -60.17 -30.6 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.62 ' HB3' HD21 ' B' ' 114' ' ' LEU . 62.8 mm-40 -63.82 -60.71 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.794 HG13 ' CD2' ' B' ' 111' ' ' LEU . 21.5 t -58.27 -38.89 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.509 ' HA ' HD12 ' A' ' 15' ' ' ILE . 33.7 tt0 -59.45 -39.12 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.89 -31.12 68.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.57 HG13 ' HE3' ' B' ' 110' ' ' LYS . 21.6 t -71.76 -49.11 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.618 HD11 HG12 ' A' ' 11' ' ' VAL . 5.5 mt -55.86 -33.23 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -63.23 -54.5 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.506 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 21' ' ' ILE . . . -59.67 -33.7 71.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.956 ' HE2' HD12 ' B' ' 107' ' ' LEU . 8.1 tpp -61.06 -34.64 75.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.568 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -30.47 66.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.717 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -57.15 -38.3 73.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.859 HG21 ' CG ' ' B' ' 104' ' ' MET . 4.9 mp -68.24 -37.97 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.658 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.802 HD12 HG22 ' A' ' 83' ' ' VAL . 3.8 mm? -98.68 31.47 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.69 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -95.87 -167.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.452 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 13.9 t -113.15 138.65 22.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.854 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -93.48 14.67 1.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.975 2.45 . . . . 0.0 114.191 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 27' ' ' CYS . 2.4 pp -141.66 -41.32 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.488 ' HB3' HD12 ' A' ' 26' ' ' ILE . 27.7 p -123.53 4.91 8.97 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.68 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.6 mm? 54.27 29.83 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.741 -0.208 . . . . 0.0 111.412 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 73.0 mm-40 -101.13 118.84 37.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.581 0.229 . . . . 0.0 110.732 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.648 ' CD2' HD11 ' A' ' 87' ' ' LEU . 14.6 tp -39.96 99.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.943 0.401 . . . . 0.0 111.299 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.853 HG22 ' SG ' ' A' ' 44' ' ' CYS . 18.5 pt -52.17 129.54 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.539 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -104.48 -35.7 7.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.627 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.2 mt-10 -114.41 81.04 6.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.516 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' CA ' ' A' ' 80' ' ' SER . 77.0 Cg_exo -47.94 114.7 1.19 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.619 2.213 . . . . 0.0 112.701 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.713 HG21 ' CA ' ' A' ' 45' ' ' LYS . 43.7 t -117.24 121.93 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 14.1 p -86.34 119.99 27.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.481 HG21 ' CE ' ' A' ' 48' ' ' MET . 3.2 p -88.27 154.06 20.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.679 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -52.6 -22.93 5.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.714 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.8 m -90.9 22.85 3.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.63 0.252 . . . . 0.0 111.413 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.54 62.8 2.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 111.285 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.88 ' ND1' HD22 ' A' ' 63' ' ' LEU . 93.3 m-70 -140.29 -175.77 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 41' ' ' HIS . 22.6 mm -133.1 141.82 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CD1' ' HE3' ' A' ' 48' ' ' MET . 33.0 m-85 -144.8 -177.82 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.853 ' SG ' HG22 ' A' ' 31' ' ' ILE . 4.3 m -99.63 25.76 6.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.713 ' CA ' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 68.97 -66.77 0.24 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.18 -29.3 65.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.454 ' SG ' HD11 ' A' ' 26' ' ' ILE . 84.5 m -57.88 -43.54 86.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.688 ' CE ' HD13 ' A' ' 68' ' ' ILE . 4.8 mmt -63.95 -33.07 74.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.58 -47.37 78.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -70.5 -34.53 72.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' ' 59' ' ' SER . 9.0 tp -63.3 -31.22 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 48' ' ' MET . 4.0 mt -78.97 -30.86 44.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -89.88 -21.47 22.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.169 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -67.88 0.22 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -98.72 24.62 7.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp 60.23 156.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.99 -156.64 12.99 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.586 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.77 151.99 14.13 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.557 2.171 . . . . 0.0 112.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.802 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -80.83 174.82 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' HD21 ' A' ' 51' ' ' LEU . 4.2 tt0 -128.93 113.75 15.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.4 t -59.34 110.22 2.54 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.45 -13.79 27.77 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.441 2.094 . . . . 0.0 112.755 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.88 HD22 ' ND1' ' A' ' 41' ' ' HIS . 6.7 mp -74.6 -32.84 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.156 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.0 p -142.47 24.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.198 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 50.77 30.93 5.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.379 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -79.32 -169.27 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.27 104.75 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.688 HD13 ' CE ' ' A' ' 48' ' ' MET . 9.2 mt -88.74 158.46 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.483 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -133.78 -176.92 4.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.4 167.87 11.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.02 29.91 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -124.66 -40.7 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.62 HD12 HG12 ' A' ' 35' ' ' VAL . 3.6 mm? -57.38 148.78 22.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -149.76 118.12 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.95 145.33 41.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.6 t -149.4 150.16 31.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 77' ' ' THR . 52.3 m -94.49 -0.64 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.258 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.787 ' CG ' HD11 ' B' ' 69' ' ' ILE . 6.2 ttm180 -51.61 -60.1 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.727 0.299 . . . . 0.0 111.183 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.534 ' HE1' HD22 ' B' ' 101' ' ' LEU . 0.1 OUTLIER -98.0 37.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.819 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.412 ' CA ' ' HG2' ' A' ' 34' ' ' PRO . 10.9 t -100.93 -63.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.638 ' HB2' HD21 ' B' ' 47' ' ' LEU . 32.6 mt-30 -56.53 -31.77 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.771 ' HG ' HD22 ' B' ' 47' ' ' LEU . 2.4 mt -63.68 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.802 HG22 HD12 ' A' ' 22' ' ' LEU . 22.6 t -80.85 -43.55 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.029 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.31 -44.39 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.26 -44.87 88.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.675 ' HA ' HD12 ' A' ' 89' ' ' ILE . 17.6 tp -57.44 -48.06 80.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.648 HD11 ' CD2' ' A' ' 30' ' ' LEU . 30.6 mt -53.75 -30.38 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -76.01 -31.74 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.725 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 86' ' ' LEU . 47.5 mt -66.25 -36.86 78.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.1 mt -72.28 -34.93 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.072 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.06 -49.94 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.639 ' HB1' ' CG ' ' B' ' 36' ' ' HIS . . . -59.75 -36.47 76.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.591 ' CZ ' HG21 ' A' ' 97' ' ' THR . 40.4 t80 -57.36 -50.49 72.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -66.19 -28.02 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -58.16 -39.58 79.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.486 ' HB3' HD11 ' A' ' 3' ' ' LEU . 4.9 m-20 -102.47 -59.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.687 HG22 HD13 ' A' ' 3' ' ' LEU . 12.6 p -59.17 -48.99 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.83 28.27 57.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.544 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 8' ' ' VAL . 9.8 mt -105.14 156.11 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -63.12 -174.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.461 ' CG ' HG21 ' A' ' 90' ' ' ILE . 15.7 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.946 ' HB1' HD23 ' A' ' 3' ' ' LEU . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.578 ' CH2' HD22 ' A' ' 3' ' ' LEU . 21.2 m95 60.71 37.42 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.82 -51.93 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.639 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -59.79 -31.47 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.4 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 58.4 m -75.31 -31.43 60.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.608 ' HA ' HD13 ' B' ' 115' ' ' LEU . 13.3 ttp85 -60.26 -47.53 85.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.17 88.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.621 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -70.75 -37.04 73.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.754 HD22 HD12 ' B' ' 115' ' ' LEU . 46.3 tp -59.13 -45.96 89.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.7 -33.81 76.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -60.86 -32.52 71.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.437 ' O ' HD23 ' B' ' 48' ' ' LEU . 7.4 tt -74.68 -34.38 62.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.32 -24.4 66.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -54.3 -29.57 47.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.771 HD22 ' HG ' ' A' ' 82' ' ' LEU . 5.0 mp -92.8 -27.09 17.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.853 HD12 HD13 ' B' ' 105' ' ' ILE . 4.0 mm? -80.94 -31.25 35.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -56.92 127.63 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 0.713 ' HB2' HD23 ' B' ' 57' ' ' LEU . 38.2 t -59.94 151.54 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.449 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -76.82 -29.39 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -57.74 2.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.409 ' O ' ' CG2' ' B' ' 54' ' ' THR . 23.7 m -65.43 -15.94 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.337 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 10.2 t 44.75 52.07 8.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.953 0.406 . . . . 0.0 111.349 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -170.42 -175.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.778 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 38.2 mm -60.1 136.26 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.888 HD12 HD11 ' B' ' 105' ' ' ILE . 0.2 OUTLIER -115.84 161.11 19.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -132.06 114.13 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.682 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 1.2 tt0 60.47 53.76 3.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.703 ' HG3' HD13 ' B' ' 57' ' ' LEU . 53.6 Cg_endo -69.4 -168.19 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.633 2.222 . . . . 0.0 112.503 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.679 HG13 ' O ' ' B' ' 96' ' ' LYS . 15.2 t -135.0 141.73 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 22.2 p -84.26 122.32 28.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.435 HD22 ' CG2' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -59.98 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.55 -53.72 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.11 42.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 p -124.14 28.85 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 65.36 14.47 9.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.536 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.683 ' CG ' ' HG ' ' B' ' 86' ' ' CYS . 0.6 OUTLIER -103.68 119.0 38.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.787 HD11 ' CG ' ' A' ' 78' ' ' ARG . 1.9 mp -128.95 144.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -149.54 170.52 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.733 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 11.1 m -65.62 -175.56 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.49 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.8 OUTLIER -96.4 23.72 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -149.06 20.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.185 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 5.0 m -134.0 -46.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 1.041 HG22 HD11 ' B' ' 79' ' ' ILE . 11.3 p -57.81 -28.36 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.279 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 29.2 t -63.49 80.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -150.97 -46.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 4.8 p -130.08 37.26 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 1.041 HD11 HG22 ' B' ' 75' ' ' VAL . 24.9 mm -77.83 141.46 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.24 -27.2 17.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.433 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.6 t -101.33 -31.19 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.99 140.3 7.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -55.29 115.81 10.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.558 0.218 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.1 -6.72 19.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.425 2.083 . . . . 0.0 112.565 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 23.1 t -98.69 -25.4 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' CYS . . . . . 0.683 ' HG ' ' CG ' ' B' ' 68' ' ' HIS . 9.6 m -106.59 -24.38 12.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 65.87 42.73 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 78.8 m -133.33 142.14 43.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.03 145.91 39.85 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.513 2.142 . . . . 0.0 112.279 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.23 -27.25 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' TRP . . . . . 0.543 ' O ' HG23 ' B' ' 92' ' ' ILE . 0.3 OUTLIER 58.59 19.93 7.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.304 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.543 HG23 ' O ' ' B' ' 91' ' ' TRP . 1.7 pt -158.93 127.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -91.22 -33.21 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.72 172.98 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.87 83.73 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.679 ' O ' HG13 ' B' ' 61' ' ' VAL . 0.6 OUTLIER -63.04 -178.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.462 HG22 ' N ' ' B' ' 98' ' ' ASN . 26.6 mm -128.99 157.01 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ASN . . . . . 0.462 ' N ' HG22 ' B' ' 97' ' ' ILE . 0.2 OUTLIER -107.26 94.11 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.796 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -69.55 -58.85 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -59.49 -46.05 89.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.763 ' CD1' HD13 ' B' ' 48' ' ' LEU . 0.2 OUTLIER -57.81 -49.12 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.811 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -62.5 -42.95 99.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.3 m -56.18 -32.16 64.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.696 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.859 ' CG ' HG21 ' A' ' 21' ' ' ILE . 11.3 mtp -74.2 -28.88 61.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.699 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.888 HD11 HD12 ' B' ' 57' ' ' LEU . 35.0 mm -59.01 -60.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -61.17 -37.1 81.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.956 HD12 ' HE2' ' A' ' 18' ' ' MET . 0.2 OUTLIER -58.79 -56.68 19.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 50.0 t -56.93 -30.92 64.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -59.3 -38.5 80.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.651 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.798 ' HE2' HD13 ' B' ' 107' ' ' LEU . 0.3 OUTLIER -65.43 -48.48 72.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.742 179.793 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.794 ' CD2' HG13 ' A' ' 11' ' ' VAL . 12.2 mt -59.68 -39.38 84.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -57.27 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -59.97 -31.26 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 10' ' ' GLU . 20.6 mt -71.65 -56.66 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.754 HD12 HD22 ' B' ' 41' ' ' LEU . 68.3 mt -60.03 -32.79 71.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -85.11 -74.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.491 ' HB2' HD23 ' A' ' 6' ' ' LEU . 9.7 m -64.08 -23.31 67.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.571 ' HA ' HG23 ' A' ' 8' ' ' VAL . . . 63.65 19.92 11.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.299 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.723 HD12 ' HB2' ' A' ' 7' ' ' ARG . 3.6 pp -71.64 -35.01 70.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.792 ' O ' HG23 ' A' ' 11' ' ' VAL . 14.2 mtt180 -164.81 48.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' A' ' 5' ' ' ALA . 22.6 t -75.58 -31.12 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.24 -36.1 63.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -67.76 -42.92 81.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 7' ' ' ARG . 28.1 t -63.67 -40.8 90.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' HG3' ' CE2' ' A' ' 93' ' ' PHE . 18.9 mt-30 -61.26 -31.55 71.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.01 -41.02 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.597 HG22 ' HE3' ' B' ' 110' ' ' LYS . 21.7 t -69.98 -41.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.679 HD11 HG12 ' A' ' 11' ' ' VAL . 13.8 mt -69.58 -32.55 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -75.89 -33.27 59.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.966 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -67.87 -53.26 28.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.682 ' HA ' HD12 ' A' ' 21' ' ' ILE . 12.1 ptp -56.58 -36.5 69.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.23 -38.57 87.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.745 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -60.57 -31.74 70.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.68 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 18' ' ' MET . 38.3 mt -65.25 -27.42 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.679 ' HB3' HG22 ' A' ' 83' ' ' VAL . 3.7 mm? -105.42 32.49 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.692 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -90.53 -170.0 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 15.2 t -113.02 138.44 22.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.821 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 24' ' ' CYS . 61.7 Cg_endo -93.45 15.14 1.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 123.018 2.479 . . . . 0.0 114.142 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.44 HG21 ' HE2' ' A' ' 43' ' ' PHE . 2.1 pp -141.02 -39.19 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.428 ' HB3' HD12 ' A' ' 26' ' ' ILE . 24.4 p -128.31 8.03 5.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.603 0.24 . . . . 0.0 111.64 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 52.57 28.25 5.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.646 0.26 . . . . 0.0 111.383 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 93.3 mt-10 -97.28 115.33 27.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.712 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.564 ' CD2' HD21 ' A' ' 87' ' ' LEU . 11.0 tp -38.5 98.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.05 0.453 . . . . 0.0 111.315 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.857 HG22 ' SG ' ' A' ' 44' ' ' CYS . 31.0 pt -50.75 136.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.585 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -113.06 -31.83 6.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -114.46 86.78 12.84 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HG2' ' N ' ' A' ' 80' ' ' SER . 52.8 Cg_exo -52.27 115.88 2.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.614 2.209 . . . . 0.0 112.39 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.664 HG21 ' HE3' ' A' ' 45' ' ' LYS . 13.7 p -129.53 119.2 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 p -78.02 126.16 30.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.756 HG22 HD23 ' A' ' 73' ' ' LEU . 8.2 p -92.31 162.69 14.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.488 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -48.53 -27.08 2.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.401 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 t -94.52 24.45 4.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 55.04 47.24 22.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.282 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.944 ' ND1' HD22 ' A' ' 63' ' ' LEU . 44.6 m-70 -124.98 153.69 42.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.9 mm -96.5 149.47 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.364 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' CD1' HG21 ' A' ' 37' ' ' THR . 15.6 m-85 -146.53 -177.26 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.683 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.857 ' SG ' HG22 ' A' ' 31' ' ' ILE . 4.5 m -99.85 20.44 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HE3' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 68.73 -66.35 0.24 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.828 0.347 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -27.68 63.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.1 m -55.35 -40.07 70.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.587 ' O ' HD12 ' A' ' 52' ' ' LEU . 9.6 mmt -66.14 -40.04 90.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 49' ' ' LEU . 8.4 mp -58.98 -43.62 91.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -85.04 -30.69 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' A' ' 59' ' ' SER . 8.2 tt -73.19 -38.47 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -57.26 -30.47 64.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.709 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' LYS . 36.6 m-20 -88.97 -75.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.647 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.04 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' ASN . 6.6 mttt -177.03 -39.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.849 0.357 . . . . 0.0 110.795 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -165.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.92 -152.67 1.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.715 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.465 ' HB3' HG22 ' A' ' 69' ' ' THR . 99.5 Cg_exo -43.4 151.26 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.021 2.481 . . . . 0.0 112.758 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.762 ' HB3' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -75.68 157.86 33.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -143.94 138.64 28.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -55.43 108.81 1.29 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.76 -4.77 15.97 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.436 2.09 . . . . 0.0 112.715 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.944 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.3 mp -85.24 -28.76 25.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.226 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.0 m -132.67 -82.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 pttp 170.49 41.55 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -96.27 -174.96 3.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -130.94 104.98 7.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.539 HD13 ' CE ' ' A' ' 48' ' ' MET . 2.9 mt -99.88 135.71 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.726 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.546 ' HA ' HD21 ' A' ' 52' ' ' LEU . 16.7 p -152.17 62.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.091 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt 60.46 155.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 53.52 25.25 4.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.2 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -115.09 -32.5 5.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.756 HD23 HG22 ' A' ' 37' ' ' THR . 4.1 mp -84.42 171.16 12.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.17 89.63 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.784 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 132.11 51.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.24 -175.9 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.4 m -115.96 77.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.447 ' CD ' HD11 ' B' ' 69' ' ' ILE . 16.6 ttp180 -118.83 -54.81 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.618 ' HA ' HD12 ' A' ' 82' ' ' LEU . 2.6 m-85 -99.04 32.11 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.797 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 34' ' ' PRO . 10.1 t -88.79 -61.51 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.563 ' HB2' HD11 ' B' ' 47' ' ' LEU . 44.6 mm-40 -59.62 -35.07 73.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 79' ' ' PHE . 54.4 mt -57.79 -35.03 70.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 22' ' ' LEU . 22.1 t -78.25 -54.8 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.66 -42.99 98.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -57.84 -44.57 86.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.738 HD12 HD11 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -53.46 -41.3 66.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' A' ' 30' ' ' LEU . 4.0 mm? -61.07 -35.68 77.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -69.8 -37.85 76.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.878 HG12 ' HB1' ' B' ' 40' ' ' ALA . 23.0 mt -70.16 -42.99 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.738 HD11 HD12 ' A' ' 86' ' ' LEU . 15.0 mt -68.77 -30.72 48.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.997 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.0 m -69.01 -36.86 78.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.85 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -66.42 -37.66 85.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 4.0 t80 -59.69 -55.95 27.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -59.8 -28.96 67.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.76 -41.66 87.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.996 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -100.35 -68.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.781 ' HB ' HD23 ' A' ' 99' ' ' LEU . 10.3 p -60.31 -45.72 92.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.71 29.57 75.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.559 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.781 HD23 ' HB ' ' A' ' 97' ' ' THR . 4.2 mm? -84.28 -178.57 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.55 140.98 29.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.541 ' CD2' HG23 ' A' ' 90' ' ' ILE . 15.8 t80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.668 ' HB3' HD23 ' B' ' 115' ' ' LEU . 10.9 m95 61.32 30.21 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.16 -56.47 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.04 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.85 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.45 -30.68 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.446 ' OG ' HD21 ' B' ' 115' ' ' LEU . 41.3 t -67.53 -36.53 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.451 ' NH2' HD23 ' B' ' 41' ' ' LEU . 6.8 tpm_? -60.2 -58.04 10.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.23 68.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.878 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -68.7 -38.64 80.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.451 HD23 ' NH2' ' B' ' 38' ' ' ARG . 11.9 tp -59.26 -43.61 92.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.72 -39.94 90.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -59.56 -53.05 62.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.757 ' O ' HD23 ' B' ' 44' ' ' LEU . 4.4 tt -59.05 -36.58 75.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.47 -28.21 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -56.95 -31.19 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 81' ' ' GLN . 4.0 mm? -79.89 -30.28 40.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.518 HD12 ' CG1' ' B' ' 105' ' ' ILE . 3.4 mm? -87.44 -22.82 24.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 114.74 1.6 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 0.738 ' HB2' HD23 ' B' ' 57' ' ' LEU . 45.0 t -59.96 156.75 13.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.441 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.4 OUTLIER -82.64 -34.47 27.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -57.41 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.402 ' O ' ' CG2' ' B' ' 54' ' ' THR . 66.9 m -65.27 -15.55 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.277 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.2 t 44.68 41.41 4.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.914 0.388 . . . . 0.0 111.332 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -163.33 -173.94 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -62.16 128.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.751 HD13 ' CG ' ' B' ' 60' ' ' PRO . 0.3 OUTLIER -107.26 168.67 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.35 105.12 8.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.432 ' N ' ' HD3' ' B' ' 60' ' ' PRO . 9.9 tt0 56.89 63.63 5.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.003 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.751 ' CG ' HD13 ' B' ' 57' ' ' LEU . 26.6 Cg_exo -62.53 -161.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.585 2.19 . . . . 0.0 112.29 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.826 HG13 ' O ' ' B' ' 96' ' ' LYS . 36.5 t -149.65 137.39 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 75.3 m -61.46 161.32 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.799 HD23 ' CE1' ' B' ' 70' ' ' PHE . 0.3 OUTLIER -94.18 -65.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.28 -67.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -155.03 32.99 0.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.38 -146.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -117.9 -27.39 6.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.637 0.256 . . . . 0.0 111.308 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.431 ' CE1' HG11 ' B' ' 85' ' ' VAL . 32.7 m80 -56.05 127.0 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.376 . . . . 0.0 111.174 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.447 HD11 ' CD ' ' A' ' 78' ' ' ARG . 1.3 mp -127.7 155.05 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.799 ' CE1' HD23 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -147.44 166.5 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 15.1 m -60.98 159.92 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -55.66 -26.08 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -112.73 22.52 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.3 m -124.49 -44.41 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.768 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 1.061 HG22 HD11 ' B' ' 79' ' ' ILE . 12.0 p -58.37 -30.82 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.5 p -63.12 80.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.67 -61.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 11.1 m -126.51 39.98 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.765 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 1.061 HD11 HG22 ' B' ' 75' ' ' VAL . 24.4 mm -74.25 -26.69 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.98 -27.3 50.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.9 m -115.7 -66.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLY . . . . . 0.514 ' HA2' ' HB2' ' B' ' 90' ' ' ALA . . . 178.69 -128.98 1.32 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.372 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.4 t -115.96 134.75 22.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.63 0.253 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.36 -21.02 9.28 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.592 2.195 . . . . 0.0 112.644 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' B' ' 68' ' ' HIS . 21.5 t -87.3 -68.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.332 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 55.5 m -71.23 -13.45 61.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.299 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 62.41 28.27 16.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.776 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -93.54 138.97 22.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.7 143.4 67.73 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.463 2.109 . . . . 0.0 112.224 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.514 ' HB2' ' HA2' ' B' ' 82' ' ' GLY . . . -65.77 85.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -59.17 -23.87 62.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.571 HD12 ' O ' ' B' ' 94' ' ' ASP . 1.4 pt -104.43 107.3 22.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.98 -31.5 68.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ASP . . . . . 0.571 ' O ' HD12 ' B' ' 92' ' ' ILE . 3.5 m-20 -115.11 -176.21 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.807 ' HB3' HG11 ' B' ' 61' ' ' VAL . 52.9 mt -97.97 89.89 4.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.826 ' O ' HG13 ' B' ' 61' ' ' VAL . 5.7 mtpp -77.14 137.59 38.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.642 HD13 HG22 ' B' ' 61' ' ' VAL . 28.3 mm -86.8 141.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.221 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -96.67 94.7 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -58.46 -30.49 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -75.87 -55.58 5.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' B' ' 101' ' ' LEU . 12.2 tp -60.53 -33.51 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.731 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' B' ' 105' ' ' ILE . 23.9 t0 -63.39 -53.48 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.636 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.9 m -61.61 -30.59 70.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.691 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.624 ' SD ' HD21 ' A' ' 22' ' ' LEU . 1.4 mtp -59.4 -38.6 80.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.691 HG21 ' O ' ' B' ' 57' ' ' LEU . 6.9 mt -66.46 -50.84 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -60.28 -31.74 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.966 HD11 ' HB3' ' A' ' 17' ' ' ALA . 1.3 mm? -63.78 -53.13 55.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.674 ' SG ' HD22 ' B' ' 44' ' ' LEU . 32.8 m -59.52 -31.36 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 32.5 t -63.97 -35.17 79.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.774 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.597 ' HE3' HG22 ' A' ' 14' ' ' VAL . 50.3 mtmt -64.72 -46.82 80.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' B' ' 114' ' ' LEU . 14.0 mt -59.0 -35.72 73.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -60.03 -41.82 93.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -69.58 -42.11 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' B' ' 111' ' ' LEU . 4.8 mt -66.1 -41.29 90.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' B' ' 34' ' ' TRP . 6.5 mt -62.11 -31.22 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -134.64 110.53 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.942 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.602 ' HA ' HD21 ' A' ' 6' ' ' LEU . 65.0 tp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 t -175.87 37.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.67 -40.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.602 HD21 ' HA ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -67.78 74.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HD3' HD23 ' B' ' 114' ' ' LEU . 10.3 ttm-85 59.87 76.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.524 HG12 ' HZ ' ' A' ' 93' ' ' PHE . 21.6 t -122.12 -42.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -64.76 -31.39 72.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.79 -48.26 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.774 HG12 HD11 ' A' ' 15' ' ' ILE . 21.6 t -59.74 -32.53 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -47.95 83.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.51 -31.74 70.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.555 HG11 ' HG ' ' B' ' 111' ' ' LEU . 31.1 t -70.79 -58.42 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.774 HD11 HG12 ' A' ' 11' ' ' VAL . 5.1 mt -58.61 -31.45 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -71.55 -48.56 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.842 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -60.24 -33.83 72.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.8 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.765 ' HB3' HD21 ' A' ' 86' ' ' LEU . 6.4 ttm -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.778 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.91 -40.33 88.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.77 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -59.72 -32.63 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 18' ' ' MET . 38.7 mt -67.53 -31.99 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.833 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.875 ' HB3' HG22 ' A' ' 83' ' ' VAL . 3.2 mm? -107.41 30.24 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.578 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.09 -166.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.047 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 14.2 t -112.92 138.69 22.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.942 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 24' ' ' CYS . 63.0 Cg_endo -93.3 16.15 1.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.882 2.388 . . . . 0.0 114.076 -178.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.491 HG21 ' HE2' ' A' ' 43' ' ' PHE . 2.1 pp -142.98 -39.26 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.425 ' HB3' HD12 ' A' ' 26' ' ' ILE . 24.3 p -128.21 9.05 6.14 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 51.08 29.05 4.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.652 0.263 . . . . 0.0 111.391 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 26.9 mm-40 -96.19 118.62 33.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.818 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.563 ' CD2' HD21 ' A' ' 87' ' ' LEU . 11.9 tp -39.14 98.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.004 0.43 . . . . 0.0 111.303 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.839 HG22 ' SG ' ' A' ' 44' ' ' CYS . 1.2 pp -51.93 113.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.825 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -89.35 -43.42 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -101.62 90.87 1.96 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.528 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HG3' ' CA ' ' A' ' 80' ' ' SER . 27.8 Cg_endo -62.6 113.05 1.79 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.533 2.155 . . . . 0.0 112.564 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 36' ' ' SER . 11.2 p -127.47 159.02 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.64 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.479 ' N ' HG22 ' A' ' 35' ' ' VAL . 15.6 p -110.39 127.78 55.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.093 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.559 HG21 ' CD1' ' A' ' 43' ' ' PHE . 19.7 p -92.31 158.09 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HZ3' ' HG2' ' A' ' 38' ' ' LYS . 8.6 tptm -52.42 -23.12 5.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.654 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.2 t -91.0 24.23 2.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 111.342 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 54.7 40.89 32.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.774 0.321 . . . . 0.0 111.037 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.944 ' ND1' HD22 ' A' ' 63' ' ' LEU . 45.7 m-70 -122.98 -179.71 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.2 mm -120.64 147.54 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.492 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.559 ' CD1' HG21 ' A' ' 37' ' ' THR . 28.7 m-85 -146.47 -177.45 5.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.65 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.839 ' SG ' HG22 ' A' ' 31' ' ' ILE . 6.7 m -100.05 24.87 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.043 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tpmp? 68.82 -66.23 0.25 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' HA ' HD13 ' A' ' 49' ' ' LEU . 1.5 t80 -58.75 -29.91 67.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.8 m -57.63 -33.96 68.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.686 ' SD ' HD11 ' A' ' 73' ' ' LEU . 5.9 mmt -67.47 -39.57 85.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 46' ' ' PHE . 5.6 mp -60.49 -53.95 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HE3' ' CE2' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -60.99 -44.91 96.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.543 HD23 ' CB ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -68.73 -31.51 70.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 70' ' ' LYS . 11.3 mt -73.77 -49.34 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -62.91 -41.13 99.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -60.23 148.31 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? 61.69 153.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 106.78 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.69 -179.0 17.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.593 ' HB3' HG23 ' A' ' 69' ' ' THR . 74.6 Cg_exo -50.17 176.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.593 2.195 . . . . 0.0 112.463 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.543 ' CB ' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -88.98 158.98 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -114.31 114.26 25.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.585 ' HB2' HD11 ' A' ' 68' ' ' ILE . 53.7 t -56.16 109.28 1.56 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.02 -7.82 22.26 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.492 2.128 . . . . 0.0 112.713 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.944 HD22 ' ND1' ' A' ' 41' ' ' HIS . 2.8 mp -84.55 -28.46 26.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.697 0.284 . . . . 0.0 111.212 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.8 m -145.87 25.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt 50.38 27.31 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.222 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -167.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -135.72 108.02 7.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 61' ' ' CYS . 1.9 mp -95.61 157.87 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -136.46 145.61 45.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.682 ' HB3' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.76 83.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -179.84 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.539 ' C ' HD22 ' A' ' 73' ' ' LEU . 1.9 m -96.3 37.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.686 HD11 ' SD ' ' A' ' 48' ' ' MET . 3.7 mm? -113.48 110.99 21.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -119.04 113.47 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -62.93 101.17 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.3 m -95.56 124.7 39.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 77' ' ' THR . 94.8 m -83.65 58.22 4.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.8 ' HB2' HD11 ' B' ' 69' ' ' ILE . 6.9 ptt-85 -112.0 -30.64 7.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 m-85 -106.82 28.66 7.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.41 ' CA ' ' HG3' ' A' ' 34' ' ' PRO . 10.0 t -89.22 -62.46 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.484 ' CB ' HD21 ' B' ' 47' ' ' LEU . 22.5 mm-40 -58.05 -31.23 66.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.789 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.68 HD21 ' CB ' ' B' ' 47' ' ' LEU . 80.2 mt -59.96 -56.49 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.875 HG22 ' HB3' ' A' ' 22' ' ' LEU . 20.3 t -59.39 -52.02 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -60.9 -35.54 76.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.65 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.42 -43.18 88.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 18' ' ' MET . 0.7 OUTLIER -57.47 -44.08 84.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.574 179.754 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 30' ' ' LEU . 3.4 mm? -57.84 -30.11 65.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -84.03 -44.2 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.9 mt -63.15 -38.36 81.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.737 HD11 HD12 ' A' ' 86' ' ' LEU . 8.2 mt -72.86 -40.51 60.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.024 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.6 -42.51 96.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.58 ' HB1' ' CG ' ' B' ' 36' ' ' HIS . . . -62.08 -39.2 91.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CE1' HG21 ' A' ' 97' ' ' THR . 65.1 t80 -59.45 -51.82 68.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.89 -30.04 69.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.988 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 92' ' ' ALA . 15.1 mt -59.16 -31.67 69.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.565 ' HB3' HD23 ' A' ' 3' ' ' LEU . 3.9 m-20 -110.13 -68.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.693 ' HB ' HD13 ' A' ' 99' ' ' LEU . 17.4 p -60.23 -40.23 89.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.18 28.16 73.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.693 HD13 ' HB ' ' A' ' 97' ' ' THR . 6.7 mp -92.86 163.27 13.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.17 166.79 9.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.41 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 29.6 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.87 0.367 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.69 ' HB3' HD23 ' B' ' 115' ' ' LEU . 20.5 m95 60.57 36.19 19.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.64 -55.93 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.58 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.08 -30.82 69.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.456 ' OG ' HD21 ' B' ' 115' ' ' LEU . 32.5 t -67.73 -39.67 84.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ttm105 -62.16 -34.42 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.55 -55.41 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.8 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' B' ' 115' ' ' LEU . 40.2 tp -59.77 -56.01 27.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.62 -33.99 72.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 61.3 mtt-85 -59.21 -40.8 86.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.546 HD13 ' SD ' ' A' ' 18' ' ' MET . 7.8 tt -72.04 -31.2 65.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -62.81 -28.44 70.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.02 -30.48 59.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.05 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.68 ' CB ' HD21 ' A' ' 82' ' ' LEU . 3.3 mm? -79.98 -29.98 39.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.754 HD12 ' CD1' ' B' ' 105' ' ' ILE . 3.9 mm? -80.32 -28.45 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.8 121.11 8.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 0.823 ' HB2' HD23 ' B' ' 57' ' ' LEU . 47.0 t -65.51 156.87 31.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.42 ' HB2' ' CE2' ' B' ' 70' ' ' PHE . 1.4 m -77.5 -34.14 54.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.79 -57.48 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.416 ' O ' ' CG2' ' B' ' 54' ' ' THR . 8.6 m -60.57 -19.1 56.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.7 t 45.03 54.32 7.03 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.987 0.422 . . . . 0.0 111.392 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -177.96 -173.53 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.681 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.496 ' CG2' HG23 ' B' ' 105' ' ' ILE . 38.4 mm -58.58 143.83 12.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' B' ' 50' ' ' CYS . 0.2 OUTLIER -123.8 152.95 41.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.04 124.55 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.657 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.427 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 5.0 tt0 54.07 52.51 9.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.665 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.759 ' HG3' HD13 ' B' ' 57' ' ' LEU . 72.9 Cg_endo -75.78 -178.92 4.67 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.653 2.236 . . . . 0.0 112.603 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.791 HG13 ' O ' ' B' ' 96' ' ' LYS . 28.3 t -131.01 145.58 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.792 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 14.9 m -57.97 -97.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.743 HD21 HG23 ' B' ' 79' ' ' ILE . 0.6 OUTLIER 75.53 -53.5 0.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.91 0.386 . . . . 0.0 111.018 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.41 71.08 1.57 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.65 -36.89 40.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.307 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' CYS . . . . . 0.409 ' HG ' ' CB ' ' B' ' 86' ' ' CYS . 0.8 OUTLIER -55.93 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.524 0.202 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -157.24 23.67 0.3 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.68 0.276 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.429 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 14.5 m170 -116.63 158.94 22.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 111.104 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 78' ' ' ARG . 4.8 mt -148.11 147.95 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.806 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' B' ' 51' ' ' SER . 1.7 m-85 -143.35 175.99 9.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 11.8 m -74.33 -177.05 2.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.644 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.3 OUTLIER -72.24 -38.12 68.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.6 19.11 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.244 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.82 -51.88 4.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.988 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.797 HG23 HD11 ' B' ' 79' ' ' ILE . 27.5 m -81.83 -27.65 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.356 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 69.0 m -46.87 -28.19 1.5 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.367 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -55.34 -27.27 46.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.21 82.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.797 HD11 HG23 ' B' ' 75' ' ' VAL . 33.1 mm -76.61 -34.35 23.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.47 -24.8 25.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.39 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 75.7 m -83.36 -75.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.715 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.97 -113.54 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.399 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.8 t -108.08 134.43 20.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.553 0.216 . . . . 0.0 110.839 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -78.45 -12.24 15.51 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.55 2.166 . . . . 0.0 112.926 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.429 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 19.8 t -107.78 -67.71 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.891 0.377 . . . . 0.0 111.363 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' CYS . . . . . 0.409 ' CB ' ' HG ' ' B' ' 66' ' ' CYS . 87.6 m -64.77 -15.33 61.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.238 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 64.86 19.79 11.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.474 HG23 ' HD2' ' B' ' 89' ' ' PRO . 90.2 m -83.61 139.66 41.03 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.739 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' B' ' 88' ' ' THR . 45.5 Cg_endo -68.48 144.89 62.85 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.457 2.104 . . . . 0.0 112.183 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.49 97.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -23.1 50.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.626 HD12 ' O ' ' B' ' 94' ' ' ASP . 2.1 pt -108.78 110.09 30.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.1 -31.71 69.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ASP . . . . . 0.626 ' O ' HD12 ' B' ' 92' ' ' ILE . 0.5 OUTLIER -104.84 -170.61 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.721 ' HG ' HG21 ' B' ' 61' ' ' VAL . 1.9 tp -105.8 86.22 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.791 ' O ' HG13 ' B' ' 61' ' ' VAL . 0.4 OUTLIER -71.21 171.82 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.452 HD13 ' O ' ' B' ' 96' ' ' LYS . 25.8 mm -129.95 139.09 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -93.88 83.35 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.766 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.07 -30.46 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.61 -51.94 13.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.486 HD13 ' CE1' ' A' ' 79' ' ' PHE . 8.6 tp -59.56 -34.34 72.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.99 -44.42 96.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.733 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 15.9 t -58.15 -32.8 68.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.651 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.602 ' HB2' HD11 ' B' ' 48' ' ' LEU . 6.7 mtp -67.88 -33.37 74.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.702 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.754 ' CD1' HD12 ' B' ' 48' ' ' LEU . 20.6 mm -60.17 -48.45 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.764 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -31.12 61.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.842 HD11 ' HB3' ' A' ' 17' ' ' ALA . 1.7 mm? -70.93 -51.6 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.465 ' SG ' HD22 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -59.74 -32.16 70.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 6.2 t -69.37 -31.46 69.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.52 ' HE3' HG13 ' A' ' 14' ' ' VAL . 10.0 mtpp -63.93 -46.75 83.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.555 ' HG ' HG11 ' A' ' 14' ' ' VAL . 29.6 mt -59.2 -41.96 89.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.28 -41.12 92.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -72.15 -41.82 66.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.497 ' CD1' HG21 ' A' ' 14' ' ' VAL . 21.4 mt -65.3 -33.6 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' B' ' 34' ' ' TRP . 6.0 mt -77.26 -34.42 55.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -60.26 -74.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.607 HD23 ' CZ2' ' B' ' 34' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.861 0.363 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.658 ' HB2' HD23 ' A' ' 6' ' ' LEU . 7.6 m 61.56 17.86 8.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.243 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.58 22.29 5.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.473 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' A' ' 4' ' ' SER . 2.7 pp -82.19 106.4 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 48.76 28.98 2.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.289 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.654 HG12 HD22 ' A' ' 99' ' ' LEU . 21.6 t -82.21 -30.61 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.121 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -31.55 64.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.734 ' HB3' HD21 ' B' ' 114' ' ' LEU . 3.3 mp0 -64.27 -42.5 96.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.865 HG12 HD11 ' A' ' 15' ' ' ILE . 21.5 t -60.74 -38.4 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -59.68 -40.08 86.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.21 -40.83 91.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.603 ' O ' HD12 ' B' ' 107' ' ' LEU . 23.6 t -70.39 -41.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.865 HD11 HG12 ' A' ' 11' ' ' VAL . 10.5 mt -67.59 -31.9 54.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.86 -52.57 19.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.915 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.82 -39.19 80.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.584 ' HA ' HD12 ' A' ' 21' ' ' ILE . 11.9 ttm -58.37 -42.87 87.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.419 ' N ' HD21 ' A' ' 86' ' ' LEU . 11.2 tt0 -63.36 -36.64 84.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -60.17 -40.72 90.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 18' ' ' MET . 19.3 mt -63.52 -29.79 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.872 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.883 ' HB3' HG22 ' A' ' 83' ' ' VAL . 4.2 mt -110.44 30.39 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.592 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -92.59 -165.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.463 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 11.3 t -111.37 138.49 21.38 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -93.04 12.94 1.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.909 2.406 . . . . 0.0 114.044 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.784 HD11 ' SG ' ' A' ' 47' ' ' CYS . 2.0 pp -141.4 -53.64 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.671 ' N ' HD12 ' A' ' 26' ' ' ILE . 26.7 p -105.16 -1.66 25.2 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 57.5 33.05 22.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.473 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 14.6 mm-40 -109.66 126.38 53.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.621 0.248 . . . . 0.0 110.727 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.675 HD23 HD11 ' A' ' 87' ' ' LEU . 11.4 tp -40.05 98.03 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.027 0.441 . . . . 0.0 111.248 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.835 HG22 ' SG ' ' A' ' 44' ' ' CYS . 37.5 pt -47.8 137.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.778 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.87 -38.13 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.623 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.721 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.6 tp10 -114.09 81.25 6.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.551 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HG2' ' N ' ' A' ' 80' ' ' SER . 71.7 Cg_exo -48.14 101.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.695 2.263 . . . . 0.0 112.732 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 33' ' ' GLU . 40.9 t -105.1 120.85 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.762 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 3.4 t -89.06 108.4 19.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.12 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.453 HG22 ' HE2' ' A' ' 48' ' ' MET . 63.6 p -78.88 162.72 25.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -47.12 -28.15 1.67 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.931 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -91.43 21.21 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 111.421 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 t70 56.2 54.65 7.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.824 0.345 . . . . 0.0 111.307 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 1.168 ' CD2' HD22 ' A' ' 63' ' ' LEU . 40.9 m80 -126.8 142.15 51.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.458 HD11 ' NH2' ' A' ' 78' ' ' ARG . 38.5 mm -91.58 129.83 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.333 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -128.19 -176.62 3.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.835 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.6 m -104.17 23.78 12.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.943 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.699 ' HA ' HG21 ' A' ' 35' ' ' VAL . 6.1 tptm 69.3 -65.58 0.29 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.094 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.745 ' HA ' HD13 ' A' ' 49' ' ' LEU . 15.6 t80 -58.19 -28.69 65.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.784 ' SG ' HD11 ' A' ' 26' ' ' ILE . 57.7 m -56.92 -39.81 75.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.058 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.453 ' HE2' HG22 ' A' ' 37' ' ' THR . 39.8 mmm -67.42 -33.2 74.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 46' ' ' PHE . 3.9 mp -63.89 -53.77 45.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.709 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -66.85 -37.52 84.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.757 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 tp -60.98 -37.25 81.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 70' ' ' LYS . 18.7 mt -80.08 -31.27 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.776 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -60.41 -53.43 57.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -75.9 63.88 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.78 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 tptt 179.57 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.968 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.88 19.55 10.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.079 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.24 -163.64 13.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.518 ' HB3' HG22 ' A' ' 69' ' ' THR . 53.7 Cg_exo -52.05 130.51 35.24 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.48 2.12 . . . . 0.0 112.283 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.435 ' OG ' HD21 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -57.77 170.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.22 103.26 5.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.408 ' N ' ' HA ' ' A' ' 66' ' ' ASN . 13.1 t -47.2 108.99 0.96 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.441 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.9 -3.92 14.49 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.369 2.046 . . . . 0.0 112.407 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.168 HD22 ' CD2' ' A' ' 41' ' ' HIS . 1.8 mp -83.28 -34.81 25.68 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.089 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 p -116.74 -54.87 2.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.984 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 pttp 172.63 -35.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.031 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.408 ' HA ' ' N ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER 166.96 137.5 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.4 41.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.941 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.4 mt -144.27 153.6 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.077 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 58' ' ' PRO . 14.5 p -127.58 -178.42 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.446 ' HA ' HD13 ' A' ' 52' ' ' LEU . 15.3 mmtp -60.1 -32.2 70.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -135.91 91.51 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 m -163.56 31.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 mt -91.48 172.01 8.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -135.08 85.96 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.25 103.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.57 -175.98 4.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.721 HG23 ' OG ' ' A' ' 80' ' ' SER . 78.5 m -151.9 79.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.601 ' CB ' HD11 ' B' ' 69' ' ' ILE . 26.7 ptt180 -117.89 -43.65 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.894 ' O ' HG23 ' A' ' 83' ' ' VAL . 5.3 m-85 -86.04 -11.28 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.372 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.721 ' OG ' HG23 ' A' ' 77' ' ' THR . 0.8 OUTLIER -54.97 -51.4 66.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.831 0.348 . . . . 0.0 111.046 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.667 ' HB2' HD22 ' B' ' 47' ' ' LEU . 31.3 mt-30 -65.46 -31.42 72.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.863 HD22 ' SD ' ' B' ' 104' ' ' MET . 2.2 mt -73.98 -32.75 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 79' ' ' PHE . 40.0 t -77.01 -39.03 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -73.66 -47.74 37.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -58.11 -40.68 81.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD12 HD12 ' A' ' 89' ' ' ILE . 15.0 tp -58.5 -45.42 88.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.757 ' HA ' HD12 ' A' ' 90' ' ' ILE . 15.0 mt -55.97 -32.68 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.729 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -72.22 -34.15 68.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.706 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.787 HG12 ' HB1' ' B' ' 40' ' ' ALA . 56.2 mt -67.29 -36.6 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.7 mt -71.21 -43.13 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 89.7 m -60.11 -44.62 94.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.484 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -60.39 -34.84 74.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.65 -53.73 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.57 -29.81 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.96 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -44.78 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -95.71 -68.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.69 ' HB ' HD13 ' A' ' 99' ' ' LEU . 14.3 p -61.99 -55.87 24.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.72 27.28 32.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.545 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.69 HD13 ' HB ' ' A' ' 97' ' ' THR . 9.8 mp -87.54 162.46 17.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.17 160.5 29.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.611 ' CD2' HG21 ' A' ' 90' ' ' ILE . 29.2 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.881 0.372 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.607 ' CZ2' HD23 ' A' ' 3' ' ' LEU . 17.7 m95 60.13 31.63 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.86 -64.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.484 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -61.31 -31.05 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.475 ' HB3' HD21 ' B' ' 115' ' ' LEU . 0.3 OUTLIER -63.58 -31.42 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.51 ' N ' HD21 ' B' ' 115' ' ' LEU . 9.2 ttt180 -72.36 -41.66 66.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.52 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.787 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -74.71 -38.15 62.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.646 HD13 HD23 ' B' ' 111' ' ' LEU . 32.2 tp -59.96 -53.13 61.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.04 -32.96 71.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -60.28 -33.54 72.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.94 -34.56 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.93 -36.53 74.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -27.02 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.667 HD22 ' HB2' ' A' ' 81' ' ' GLN . 9.3 mt -84.89 -23.57 28.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.843 HD13 HD13 ' B' ' 105' ' ' ILE . 30.3 mt -96.32 -24.96 15.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.223 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 120.75 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 111.023 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 40.8 t -57.8 156.31 8.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.424 ' HB3' ' CE2' ' B' ' 70' ' ' PHE . 9.4 t -82.78 -31.41 28.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -100.67 -60.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 70.7 m -61.14 -19.15 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.194 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 10.2 t 44.8 52.05 8.13 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.966 0.413 . . . . 0.0 111.366 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -156.17 -176.17 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.55 ' CG2' HG23 ' B' ' 105' ' ' ILE . 36.0 mm -64.54 123.94 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' B' ' 60' ' ' PRO . 12.2 mt -59.19 152.05 21.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -154.73 100.95 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.0 tt0 55.71 52.19 7.3 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.665 ' HB3' HD22 ' B' ' 57' ' ' LEU . 65.7 Cg_endo -73.89 -173.82 1.52 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.613 2.209 . . . . 0.0 112.657 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.815 HG13 ' O ' ' B' ' 96' ' ' LYS . 22.1 t -137.66 146.29 27.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.038 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.482 ' O ' HD13 ' B' ' 92' ' ' ILE . 8.4 t -85.17 114.03 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.812 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.731 HD23 HD13 ' B' ' 79' ' ' ILE . 0.4 OUTLIER -57.18 -54.8 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -108.77 0.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.538 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.6 34.48 1.7 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 2.7 p -117.02 30.28 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 65.59 14.07 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.435 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.417 ' CE1' ' HG ' ' B' ' 83' ' ' CYS . 0.0 OUTLIER -88.7 123.34 33.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 110.798 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.601 HD11 ' CB ' ' A' ' 78' ' ' ARG . 8.4 mt -140.66 128.73 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.453 ' HB2' HG13 ' B' ' 75' ' ' VAL . 3.3 m-85 -148.25 173.6 12.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 20.8 m -59.33 -176.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.603 ' HA ' HG23 ' B' ' 61' ' ' VAL . 21.8 p -94.69 26.1 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -148.9 20.02 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.192 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 m -116.12 -64.79 1.26 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.669 HG23 HG13 ' B' ' 79' ' ' ILE . 32.7 m -61.37 -23.55 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.581 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.9 t -46.24 -25.34 0.6 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.812 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -87.81 22.84 2.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.706 0.288 . . . . 0.0 111.297 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.91 38.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.988 0.423 . . . . 0.0 110.34 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.731 HD13 HD23 ' B' ' 63' ' ' LEU . 1.5 mm -120.47 157.09 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.861 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' GLY . . . . . 0.412 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 84.72 25.77 40.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.173 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.4 m -162.2 -44.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.81 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.34 138.03 3.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.414 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' CYS . . . . . 0.417 ' HG ' ' CE1' ' B' ' 68' ' ' HIS . 42.5 t -72.71 114.27 28.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.622 0.248 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.01 -1.25 11.43 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.445 2.097 . . . . 0.0 112.641 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.34 -28.34 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.798 0.332 . . . . 0.0 111.195 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 57.3 m -106.18 -19.24 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 67.07 49.7 1.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 73.7 m -140.1 140.04 22.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.11 162.77 3.79 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.421 2.081 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.0 84.6 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.81 -25.92 61.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.482 HD13 ' O ' ' B' ' 62' ' ' CYS . 0.9 OUTLIER -79.56 85.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -59.57 -31.36 69.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -115.79 157.24 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.598 HD12 HG21 ' B' ' 61' ' ' VAL . 4.3 mm? -67.5 75.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.815 ' O ' HG13 ' B' ' 61' ' ' VAL . 32.7 mttt -60.86 175.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.469 HD13 ' O ' ' B' ' 96' ' ' LYS . 25.0 mm -130.73 139.26 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.203 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.18 94.82 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.784 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -58.93 -30.85 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' ILE . 11.5 mm100 -72.46 -47.38 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.52 HD12 HD13 ' B' ' 57' ' ' LEU . 2.7 mm? -61.06 -46.79 89.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.644 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -60.76 -46.37 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' SER . . . . . 0.442 ' O ' HD23 ' B' ' 107' ' ' LEU . 6.8 t -59.92 -34.28 73.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.863 ' SD ' HD22 ' A' ' 82' ' ' LEU . 1.4 mtp -62.72 -32.4 73.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.644 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.843 HD13 HD13 ' B' ' 48' ' ' LEU . 27.2 mm -65.28 -51.42 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -64.08 -31.21 72.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.915 HD11 ' HB3' ' A' ' 17' ' ' ALA . 2.2 mm? -65.54 -51.95 56.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.513 ' SG ' HD11 ' B' ' 41' ' ' LEU . 51.9 t -61.87 -30.02 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 31.0 t -59.15 -47.01 86.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.693 ' O ' HD13 ' B' ' 114' ' ' LEU . 9.0 mtmt -59.94 -49.78 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.679 HD11 HG13 ' A' ' 11' ' ' VAL . 3.6 tp -57.6 -36.34 71.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -65.96 -45.8 80.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -70.74 -39.26 73.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.734 HD21 ' HB3' ' A' ' 10' ' ' GLU . 9.2 mp -60.09 -43.8 95.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.51 HD21 ' N ' ' B' ' 38' ' ' ARG . 2.5 mp -61.01 -38.12 84.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -60.01 -72.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.628 HD22 HG23 ' A' ' 97' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.788 0.328 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.443 ' HB2' HD23 ' A' ' 6' ' ' LEU . 0.6 OUTLIER 62.55 15.66 8.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.292 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 54.18 21.33 3.0 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' B' ' 33' ' ' ALA . 1.9 pp -74.05 99.61 3.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.896 0.379 . . . . 0.0 110.285 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' GLU . 19.4 mtt180 63.7 -84.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.327 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.7 t 61.09 -73.83 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.511 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ARG . 2.7 pt-20 -46.49 -29.8 1.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.323 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.6 ' HB3' HD21 ' B' ' 114' ' ' LEU . 3.3 mp0 -65.5 -58.32 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.746 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.604 HG21 ' CZ3' ' B' ' 34' ' ' TRP . 23.8 t -58.36 -41.22 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -43.38 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -59.99 -35.95 76.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.76 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.013 HG13 HD23 ' B' ' 107' ' ' LEU . 38.0 t -66.89 -28.41 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.433 HG22 ' CE1' ' A' ' 101' ' ' TYR . 13.2 mm -72.41 -31.28 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.007 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -74.43 -50.34 18.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.755 ' HB1' HD11 ' B' ' 107' ' ' LEU . . . -58.78 -42.74 89.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.786 ' HG2' HD21 ' A' ' 86' ' ' LEU . 2.1 tpp -64.45 -43.26 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -64.25 -40.64 96.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.018 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -55.96 -28.38 56.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 18' ' ' MET . 27.3 mt -67.55 -29.24 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.776 HD23 HG22 ' A' ' 83' ' ' VAL . 10.5 mp -115.25 28.2 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.65 -168.29 2.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.756 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 10.2 t -115.03 134.45 22.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -93.12 10.37 2.24 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.883 2.389 . . . . 0.0 114.114 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 27' ' ' CYS . 2.2 pp -132.47 -38.86 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.34 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.507 ' HB3' HD12 ' A' ' 26' ' ' ILE . 28.3 p -128.09 4.47 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.594 0.235 . . . . 0.0 111.633 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 53.79 31.03 12.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.515 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -102.2 120.78 41.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.836 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.725 ' CD2' HD21 ' A' ' 87' ' ' LEU . 12.1 tp -37.82 101.56 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.844 HG22 ' SG ' ' A' ' 44' ' ' CYS . 1.1 pp -53.84 108.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.904 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.61 -37.25 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.489 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.7 mt-10 -111.72 94.19 22.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.466 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 33' ' ' GLU . 23.4 Cg_endo -61.72 111.2 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.439 2.092 . . . . 0.0 112.31 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.718 HG11 HD12 ' A' ' 73' ' ' LEU . 27.0 t -117.42 123.23 71.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.993 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 p -87.79 104.07 16.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.4 p -70.38 162.55 28.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HG3' ' CH2' ' B' ' 91' ' ' TRP . 7.5 ttpt -47.45 -26.38 1.34 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.699 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.7 t -91.55 23.63 3.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.399 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.2 t70 55.11 36.78 27.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.363 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 1.133 ' CD2' HD22 ' A' ' 63' ' ' LEU . 13.5 m80 -114.07 149.43 35.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.028 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mm -88.6 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.283 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -151.44 -177.28 5.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.776 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.844 ' SG ' HG22 ' A' ' 31' ' ' ILE . 6.7 m -100.7 22.95 11.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.64 ' CA ' HG21 ' A' ' 35' ' ' VAL . 4.9 tttm 68.01 -67.9 0.18 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.6 -26.7 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.442 ' SG ' HD11 ' A' ' 26' ' ' ILE . 75.7 m -54.46 -29.12 48.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.067 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.714 ' SD ' HD22 ' A' ' 73' ' ' LEU . 5.3 mmt -69.12 -38.03 78.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 49' ' ' LEU . 7.5 mp -61.95 -42.56 99.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -74.22 -33.22 63.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' A' ' 59' ' ' SER . 5.8 tp -75.31 -52.57 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.88 -31.35 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -82.22 -32.59 29.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -62.24 121.35 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm 60.13 -177.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.19 161.63 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.28 -176.86 52.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.578 ' HB3' HG22 ' A' ' 69' ' ' THR . 59.0 Cg_exo -51.64 -178.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.633 2.222 . . . . 0.0 112.3 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.536 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -82.83 -31.42 28.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 62.2 117.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.496 ' CB ' HD11 ' A' ' 68' ' ' ILE . 9.5 t -68.58 114.81 24.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.518 ' HD3' HD21 ' A' ' 51' ' ' LEU . 61.2 Cg_endo -72.65 -7.13 20.3 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.413 2.076 . . . . 0.0 112.582 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.133 HD22 ' CD2' ' A' ' 41' ' ' HIS . 5.3 mp -78.16 -30.65 49.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.062 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 11.1 p -151.36 25.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.238 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.76 34.45 21.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 61' ' ' CYS . 1.1 t-20 -75.04 -167.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.836 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -128.0 103.6 7.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.496 HD11 ' CB ' ' A' ' 61' ' ' CYS . 16.0 mt -107.71 139.72 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.578 HG22 ' HB3' ' A' ' 58' ' ' PRO . 20.9 p -137.15 160.86 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -59.9 161.7 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.0 46.87 7.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -143.93 -62.01 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.718 HD12 HG11 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -59.92 167.77 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -157.18 164.17 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.56 100.99 13.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.8 p -113.71 115.59 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.499 HG23 ' OG ' ' A' ' 80' ' ' SER . 88.3 m -67.84 74.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.523 ' HD3' HD11 ' B' ' 69' ' ' ILE . 4.1 mtt85 -112.93 -35.83 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.783 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.614 ' O ' HG23 ' A' ' 83' ' ' VAL . 7.2 m-85 -127.9 46.49 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.695 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.499 ' OG ' HG23 ' A' ' 77' ' ' THR . 94.5 p -97.26 -71.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.717 ' HB2' HD11 ' B' ' 47' ' ' LEU . 32.0 mm-40 -59.28 -20.94 58.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.726 ' CB ' HD21 ' A' ' 22' ' ' LEU . 4.3 mt -73.23 -30.5 63.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.762 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.776 HG22 HD23 ' A' ' 22' ' ' LEU . 22.5 t -79.4 -40.33 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.96 -46.08 72.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -37.7 80.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.714 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.786 HD21 ' HG2' ' A' ' 18' ' ' MET . 0.1 OUTLIER -57.29 -45.0 84.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.748 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.725 HD21 ' CD2' ' A' ' 30' ' ' LEU . 28.4 mt -60.2 -35.78 76.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -68.13 -39.51 82.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 86' ' ' LEU . 19.3 mt -63.87 -40.97 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 87' ' ' LEU . 5.4 mt -67.26 -39.24 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.2 m -60.17 -39.61 87.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.71 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.87 90.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.88 -27.28 66.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -85.79 -26.51 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.74 -67.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -88.13 -62.43 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.628 HG23 HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -55.56 -41.67 73.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 57.47 27.22 58.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.766 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.566 HD23 ' HB ' ' A' ' 97' ' ' THR . 4.5 mm? -76.33 -177.47 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.346 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.69 133.38 42.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CD2' HG21 ' A' ' 90' ' ' ILE . 70.9 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.879 ' HB2' HD21 ' A' ' 6' ' ' LEU . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.676 ' HB3' HD23 ' B' ' 115' ' ' LEU . 1.8 m95 59.47 44.41 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.49 -69.32 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.409 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -68.2 -31.34 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.409 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 1.5 m -73.83 -34.55 64.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.482 ' CB ' HD22 ' B' ' 115' ' ' LEU . 29.3 ttt180 -60.11 -46.72 88.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.95 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.487 ' HB1' ' CG1' ' A' ' 89' ' ' ILE . . . -60.13 -40.85 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.056 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.731 HD22 ' CD1' ' B' ' 115' ' ' LEU . 10.0 tp -59.41 -42.92 92.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.14 -31.3 69.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -61.82 -53.61 53.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.691 HD11 ' HE2' ' B' ' 104' ' ' MET . 7.6 tt -61.33 -31.1 70.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -59.67 -37.83 79.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -30.69 66.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 81' ' ' GLN . 3.7 mm? -73.88 -32.7 63.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.499 HD21 ' SD ' ' B' ' 104' ' ' MET . 3.4 mm? -79.64 -20.48 46.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 123.5 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -59.83 155.3 16.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -33.73 60.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.449 ' NH1' ' CE1' ' B' ' 70' ' ' PHE . 10.5 mpt_? -102.16 -59.32 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' THR . 72.7 m -60.83 -19.45 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.2 t 44.6 47.27 8.54 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.867 0.365 . . . . 0.0 111.288 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -151.59 -175.69 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 37.7 mm -60.66 120.28 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.781 ' O ' HD13 ' B' ' 105' ' ' ILE . 8.9 mt -58.79 158.1 8.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 101.35 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.649 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.3 tt0 54.05 51.76 8.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.637 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.696 ' HB3' HD22 ' B' ' 57' ' ' LEU . 74.0 Cg_endo -75.4 -168.53 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.562 2.174 . . . . 0.0 112.62 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.86 HG13 ' O ' ' B' ' 96' ' ' LYS . 22.8 t -151.7 140.01 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.566 ' O ' HG21 ' B' ' 75' ' ' VAL . 23.6 m -58.37 -168.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.704 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.718 ' CD2' HG23 ' B' ' 75' ' ' VAL . 0.2 OUTLIER -120.41 -68.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.061 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.41 -109.37 0.23 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.635 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.46 29.35 7.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 21.1 p -116.21 -145.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -135.09 43.34 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 110.975 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.44 ' CE1' ' HG ' ' B' ' 86' ' ' CYS . 19.9 m170 -123.64 146.73 47.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.523 HD11 ' HD3' ' A' ' 78' ' ' ARG . 9.0 mt -148.78 141.81 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.916 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CE1' ' NH1' ' B' ' 52' ' ' ARG . 1.1 m-85 -150.51 160.44 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.528 ' O ' HG12 ' B' ' 75' ' ' VAL . 31.2 p -59.02 162.01 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p -57.8 -21.27 41.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.283 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -99.34 20.43 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.486 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 m -142.85 -53.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 1.111 HG22 HD11 ' B' ' 79' ' ' ILE . 14.8 p -59.97 -39.33 79.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.29 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.404 ' HA ' ' CG1' ' B' ' 79' ' ' ILE . 10.3 t -55.59 -21.82 19.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.355 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -49.96 -26.82 4.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.41 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 50.4 m -153.25 76.68 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 111.324 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 1.111 HD11 HG22 ' B' ' 75' ' ' VAL . 43.6 mm -125.61 158.16 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.001 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' GLY . . . . . 0.494 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 77.32 25.45 63.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.341 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 82.1 m -158.72 -45.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.94 139.27 3.68 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.537 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.4 t -57.51 134.82 82.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.644 0.259 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.43 -22.07 9.74 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.513 2.142 . . . . 0.0 112.66 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 13.3 t -89.1 -28.99 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.292 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' CYS . . . . . 0.44 ' HG ' ' CE1' ' B' ' 68' ' ' HIS . 20.6 m -98.85 -23.1 15.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 62.47 37.62 13.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 3.9 m -119.63 135.85 24.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.29 142.97 55.16 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.468 2.112 . . . . 0.0 112.255 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.14 90.22 4.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' TRP . . . . . 0.419 ' CH2' ' HG3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -58.54 -25.27 62.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.415 HD11 ' O ' ' B' ' 63' ' ' LEU . 1.2 pt -99.85 88.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.178 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -29.09 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -106.91 142.82 35.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.776 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.81 80.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.86 ' O ' HG13 ' B' ' 61' ' ' VAL . 12.9 mmtt -71.29 139.67 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.802 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 35.0 mt -104.12 135.25 42.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.313 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -97.86 92.42 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.651 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -28.96 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.34 -51.94 63.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.1 -48.51 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.752 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -65.27 -47.22 77.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.786 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 35.4 t -55.38 -31.16 61.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.707 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.691 ' HE2' HD11 ' B' ' 44' ' ' LEU . 17.9 ttm -71.38 -33.2 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.691 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.781 HD13 ' O ' ' B' ' 57' ' ' LEU . 45.1 mt -57.84 -48.84 82.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.72 -39.76 89.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.478 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 1.013 HD23 HG13 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -63.89 -45.82 87.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.606 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.32 -36.78 71.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.582 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -34.48 77.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.445 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.741 ' HE3' HG22 ' A' ' 14' ' ' VAL . 40.4 mtmt -58.64 -51.88 68.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.666 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.59 ' CB ' HD13 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -59.93 -34.91 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.765 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -59.72 -44.59 93.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -75.48 -33.01 60.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.661 HD13 ' O ' ' B' ' 110' ' ' LYS . 9.7 mp -72.32 -31.64 65.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.731 ' CD1' HD22 ' B' ' 41' ' ' LEU . 6.3 mt -74.17 -31.58 62.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -69.46 -74.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.899 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' B' ' 34' ' ' TRP . 3.5 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.625 ' OG ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 55.05 21.7 3.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.42 22.9 3.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.702 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.6 pp -87.39 83.99 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 55.56 79.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.564 HG12 HD22 ' A' ' 99' ' ' LEU . 21.6 t -126.51 -44.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -50.61 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -61.19 -28.27 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.546 ' O ' HD12 ' A' ' 15' ' ' ILE . 34.9 t -69.65 -30.72 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -71.87 -36.2 70.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -64.55 -40.02 94.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.614 ' CG1' HD13 ' B' ' 111' ' ' LEU . 24.3 t -59.41 -56.17 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.546 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.8 mt -56.66 -29.8 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.201 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -63.0 -58.39 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.688 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.53 -31.64 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.785 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.693 ' HG2' HD13 ' A' ' 86' ' ' LEU . 6.4 tpp -64.61 -35.36 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.464 ' HA ' HD23 ' A' ' 86' ' ' LEU . 3.4 tt0 -68.13 -32.81 73.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -59.53 -40.43 87.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.723 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.847 HD13 ' HG2' ' B' ' 104' ' ' MET . 4.9 mt -66.1 -31.39 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.851 HD12 HG22 ' A' ' 83' ' ' VAL . 3.9 mm? -107.17 31.03 5.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -99.17 -170.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.38 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.4 t -111.5 141.47 24.59 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.704 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.449 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 68.7 Cg_endo -93.25 -9.42 2.04 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.825 2.35 . . . . 0.0 114.638 -178.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 27' ' ' CYS . 2.1 pt -131.62 -32.62 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.451 ' N ' HG13 ' A' ' 26' ' ' ILE . 9.9 m -105.81 -13.51 15.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.665 0.269 . . . . 0.0 111.453 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 3.4 mm? 59.3 27.46 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.829 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 9.6 pt-20 -113.05 126.85 55.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 87' ' ' LEU . 12.0 tp -38.33 100.82 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.446 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.905 HG22 ' HB3' ' A' ' 44' ' ' CYS . 28.7 pt -50.71 141.43 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.748 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.19 -39.86 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.705 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 35' ' ' VAL . 13.1 mp0 -110.46 93.48 16.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' CB ' ' A' ' 80' ' ' SER . 78.4 Cg_exo -48.33 120.94 5.54 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.575 2.183 . . . . 0.0 112.779 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.821 HG21 ' HA ' ' A' ' 45' ' ' LYS . 40.4 t -127.36 123.82 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.49 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 14.3 p -105.51 130.76 53.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.926 0.393 . . . . 0.0 111.576 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.459 HG22 ' HE3' ' A' ' 48' ' ' MET . 13.6 p -96.5 163.72 12.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.514 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HG2' ' CZ2' ' B' ' 91' ' ' TRP . 4.6 mttp -47.18 -26.17 1.09 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.098 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.79 10.02 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.2 t70 63.58 44.93 4.92 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.027 0.442 . . . . 0.0 110.478 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.727 ' ND1' HD22 ' A' ' 63' ' ' LEU . 26.7 m170 -108.17 -173.63 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.999 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 41' ' ' HIS . 25.8 mm -133.22 154.07 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.27 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CE2' ' HG2' ' A' ' 25' ' ' PRO . 63.3 m-85 -153.37 174.28 14.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.905 ' HB3' HG22 ' A' ' 31' ' ' ILE . 18.8 p -97.79 27.7 4.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.821 ' HA ' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER 62.87 144.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.835 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.4 t80 74.7 4.13 4.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.504 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 26' ' ' ILE . 85.2 m -76.97 -32.82 57.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.981 0.419 . . . . 0.0 110.585 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.459 ' HE3' HG22 ' A' ' 37' ' ' THR . 12.4 mmt -65.84 -42.6 90.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.509 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.32 -45.76 92.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.537 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -76.15 -31.9 58.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.73 -31.14 64.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 70' ' ' LYS . 1.1 mp -88.54 -35.71 16.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -73.76 -34.63 64.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -58.73 -31.23 68.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -97.66 -176.82 3.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 18.06 19.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.95 -154.54 9.07 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.617 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.87 ' HB3' HG22 ' A' ' 69' ' ' THR . 88.3 Cg_exo -47.53 144.68 9.99 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.806 2.338 . . . . 0.0 112.576 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -171.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.769 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -165.33 104.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 45.9 t -45.38 104.29 0.39 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.57 -12.03 34.13 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.452 2.101 . . . . 0.0 112.566 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.727 HD22 ' ND1' ' A' ' 41' ' ' HIS . 5.6 mp -79.16 -30.57 43.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.6 m -118.69 -61.27 1.67 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.77 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 pttp 172.54 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 173.35 137.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 169.35 39.07 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.4 mt -151.94 143.59 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.99 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.87 HG22 ' HB3' ' A' ' 58' ' ' PRO . 21.5 p -148.62 36.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HB2' HD22 ' A' ' 52' ' ' LEU . 18.6 ttmm 59.28 162.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 59.42 71.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -172.04 -56.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.403 ' CD1' ' HG3' ' A' ' 48' ' ' MET . 0.3 OUTLIER -59.54 -178.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -173.06 138.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.793 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.03 101.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -101.8 169.98 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.1 m -110.7 72.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.844 ' CD ' HD11 ' B' ' 69' ' ' ILE . 0.5 OUTLIER -118.76 -64.28 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.591 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.4 m-85 -97.52 37.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.412 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -87.55 -69.8 0.66 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.595 ' HB2' HD11 ' B' ' 47' ' ' LEU . 25.0 mt-30 -63.32 -28.01 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.747 ' HG ' HD22 ' B' ' 47' ' ' LEU . 15.3 mt -59.32 -30.98 68.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.865 0.364 . . . . 0.0 110.632 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.851 HG22 HD12 ' A' ' 22' ' ' LEU . 21.9 t -78.51 -52.77 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.939 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.04 -37.72 88.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.798 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -59.05 -47.83 83.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.815 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.752 ' HA ' HD12 ' A' ' 89' ' ' ILE . 16.3 tp -58.62 -47.08 85.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 90' ' ' ILE . 7.5 tp -54.14 -30.32 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -75.84 -31.16 59.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 86' ' ' LEU . 30.9 mt -69.02 -31.68 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.714 HG21 ' CD2' ' A' ' 101' ' ' TYR . 4.5 mt -78.39 -39.65 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.83 -50.9 72.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' B' ' 36' ' ' HIS . . . -59.51 -47.9 83.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' A' ' 97' ' ' THR . 2.9 t80 -59.55 -47.38 85.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.33 -30.69 69.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -47.83 84.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.4 -66.64 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.712 ' HB ' HD13 ' A' ' 99' ' ' LEU . 16.4 p -66.44 -54.1 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.77 28.36 73.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.55 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 97' ' ' THR . 7.0 mp -79.17 167.08 21.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.13 144.07 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.714 ' CD2' HG21 ' A' ' 90' ' ' ILE . 15.0 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.679 ' HB1' HD11 ' A' ' 3' ' ' LEU . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.775 0.322 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.724 ' HB2' HD21 ' A' ' 3' ' ' LEU . 72.0 t-105 60.34 92.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -174.17 -41.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.592 ' HB2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.37 -29.45 66.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -74.16 -31.61 62.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.65 ' HA ' HD21 ' B' ' 115' ' ' LEU . 0.3 OUTLIER -60.53 -53.03 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.32 87.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.624 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -65.97 -32.69 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.627 HD21 ' SG ' ' B' ' 108' ' ' CYS . 9.5 tt -58.06 -45.76 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -65.86 -32.49 74.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.784 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -60.51 -31.47 70.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tt -75.46 -40.15 57.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -59.98 -25.29 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -32.24 56.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.06 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.747 HD22 ' HG ' ' A' ' 82' ' ' LEU . 4.0 mp -95.22 17.71 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.501 ' CD1' HD11 ' B' ' 101' ' ' LEU . 0.9 OUTLIER -129.1 -40.87 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.062 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.13 105.62 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.864 0.364 . . . . 0.0 110.988 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 41.1 t -51.02 153.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.274 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -85.97 -31.29 22.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.451 ' CD ' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -88.12 -58.61 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.404 ' O ' ' CG2' ' B' ' 54' ' ' THR . 91.1 m -68.41 -13.15 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.392 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.5 t 44.62 50.51 8.38 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.991 0.424 . . . . 0.0 111.321 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -169.12 -165.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.762 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.489 HG22 ' N ' ' B' ' 57' ' ' LEU . 40.3 mm -57.52 158.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' B' ' 60' ' ' PRO . 13.1 mt -98.27 164.36 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -169.28 113.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.486 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 4.7 tt0 47.73 51.02 9.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.629 ' HB3' HD22 ' B' ' 57' ' ' LEU . 73.6 Cg_endo -76.78 177.49 8.79 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.644 2.229 . . . . 0.0 112.689 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.796 HG13 ' O ' ' B' ' 96' ' ' LYS . 38.2 t -136.46 138.58 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.566 ' O ' HD11 ' B' ' 92' ' ' ILE . 0.8 OUTLIER -59.0 168.45 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.502 HD23 ' CE1' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -99.56 -54.57 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.18 -105.94 0.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.557 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.0 38.42 2.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.77 -145.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -128.1 42.59 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.416 ' CG ' ' HG ' ' B' ' 86' ' ' CYS . 32.8 m170 -131.01 141.68 50.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.844 HD11 ' CD ' ' A' ' 78' ' ' ARG . 13.9 mt -141.81 147.68 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.502 ' CE1' HD23 ' B' ' 63' ' ' LEU . 8.5 m-85 -146.07 170.86 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 111.039 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.6 m -61.2 178.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.65 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.4 OUTLIER -70.76 -30.36 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -94.71 17.62 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.232 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 51.3 m -101.19 -65.89 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.1 -29.67 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -48.81 -27.94 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.281 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -47.03 65.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 50.2 m -138.51 57.06 1.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.756 HD11 HD12 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -95.89 139.66 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.359 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 80' ' ' GLY . . . . . 0.446 ' HA2' ' HB3' ' B' ' 90' ' ' ALA . . . 112.38 -28.8 8.79 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.808 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.3 t -76.36 -28.54 56.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 110.601 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' B' ' 89' ' ' PRO . . . 104.38 139.12 9.91 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.495 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.42 127.61 77.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.594 0.235 . . . . 0.0 110.973 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -78.54 -16.35 13.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.57 2.18 . . . . 0.0 112.606 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 26.3 t -89.51 -28.63 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' CYS . . . . . 0.416 ' HG ' ' CG ' ' B' ' 68' ' ' HIS . 16.1 m -94.81 -18.58 21.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.216 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 65.21 36.79 6.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.457 HG23 ' HD2' ' B' ' 89' ' ' PRO . 89.7 m -132.63 139.33 34.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.751 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' PRO . . . . . 0.457 ' HD2' HG23 ' B' ' 88' ' ' THR . 49.1 Cg_endo -69.0 143.64 55.22 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.449 2.099 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.446 ' HB3' ' HA2' ' B' ' 80' ' ' GLY . . . -65.81 91.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 91' ' ' TRP . . . . . 0.411 ' CZ2' ' HG2' ' A' ' 38' ' ' LYS . 51.6 t90 -57.51 -23.37 49.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.756 HD12 HD11 ' B' ' 79' ' ' ILE . 1.1 pt -96.61 85.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -58.48 -27.57 64.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -99.74 164.98 11.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.623 ' CD1' HG11 ' B' ' 61' ' ' VAL . 3.9 mm? -82.44 73.35 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.796 ' O ' HG13 ' B' ' 61' ' ' VAL . 11.1 mttt -69.7 137.5 52.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mt -110.64 134.84 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -93.44 90.22 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -56.58 -29.05 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.19 -55.28 19.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' B' ' 48' ' ' LEU . 11.3 tp -59.97 -30.97 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.8 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.786 ' HA ' HD12 ' B' ' 105' ' ' ILE . 2.2 m-20 -64.81 -50.76 65.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.664 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -60.7 -31.85 71.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.72 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.847 ' HG2' HD13 ' A' ' 21' ' ' ILE . 2.4 mtp -60.26 -42.53 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' B' ' 102' ' ' ASP . 4.8 mt -59.73 -57.02 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.009 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -57.89 -32.11 67.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.678 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.727 HD13 ' HE2' ' B' ' 110' ' ' LYS . 0.3 OUTLIER -61.02 -53.01 62.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.726 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.627 ' SG ' HD21 ' B' ' 41' ' ' LEU . 52.6 t -57.71 -31.7 66.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.769 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -39.66 85.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.727 ' HE2' HD13 ' B' ' 107' ' ' LEU . 39.3 mtmt -62.21 -48.63 79.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.618 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' B' ' 114' ' ' LEU . 2.8 tp -60.28 -37.3 80.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -59.54 -38.49 81.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -68.53 -33.43 74.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' B' ' 111' ' ' LEU . 4.4 mt -75.55 -30.94 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.65 HD21 ' HA ' ' B' ' 38' ' ' ARG . 8.5 mp -74.59 -30.94 61.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -133.0 109.73 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.887 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.754 HD22 ' CZ3' ' B' ' 34' ' ' TRP . 5.1 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.015 0.436 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 m 64.16 15.4 9.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.349 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.72 23.15 3.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.715 0.293 . . . . 0.0 111.535 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.75 -30.75 61.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.725 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.431 ' HG2' ' CZ2' ' B' ' 34' ' ' TRP . 0.5 OUTLIER -164.88 -80.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.404 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t 64.1 -73.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.281 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -55.79 -30.76 61.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.044 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.446 ' OE1' HD21 ' B' ' 114' ' ' LEU . 1.2 tm-20 -72.06 -59.89 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.768 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 93' ' ' PHE . 22.5 t -59.46 -39.53 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -54.32 -47.16 72.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -60.74 -31.87 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.537 HG13 HD13 ' B' ' 107' ' ' LEU . 25.2 t -68.39 -43.32 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.855 HD12 HG22 ' A' ' 89' ' ' ILE . 25.6 mm -58.7 -44.27 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.69 -45.16 72.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.763 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.78 -33.23 70.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.7 ' SD ' HD13 ' B' ' 44' ' ' LEU . 25.7 ttm -71.41 -31.32 67.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.802 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.88 -28.9 67.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -57.04 -33.67 67.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.556 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.3 mp -70.09 -21.63 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 82' ' ' LEU . 2.9 mm? -117.98 41.04 2.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.696 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -104.16 -175.61 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.446 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.7 t -108.98 140.1 21.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.644 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.463 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 63.0 Cg_endo -93.17 -9.8 1.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.887 2.391 . . . . 0.0 114.652 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.538 HG21 ' HG3' ' A' ' 62' ' ' PRO . 3.1 pt -129.64 -32.97 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.456 ' N ' HG13 ' A' ' 26' ' ' ILE . 9.8 m -106.01 -14.78 15.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.573 0.225 . . . . 0.0 111.318 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 2.7 mm? 60.67 26.37 16.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.685 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.2 mt-10 -111.65 124.53 52.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.705 HD21 HD21 ' A' ' 87' ' ' LEU . 14.7 tp -37.11 102.3 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.499 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.773 HG22 ' HB3' ' A' ' 44' ' ' CYS . 36.4 pt -52.28 136.17 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.505 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -36.8 5.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.627 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -114.56 81.66 7.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.567 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HG2' ' CA ' ' A' ' 80' ' ' SER . 73.7 Cg_exo -49.07 140.82 23.94 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.648 2.232 . . . . 0.0 112.502 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG11 ' SD ' ' A' ' 48' ' ' MET . 11.0 p -149.42 126.71 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.942 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.7 p -93.96 116.83 29.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.597 HG21 ' CE1' ' A' ' 43' ' ' PHE . 3.7 p -79.69 162.7 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.496 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -47.99 -27.54 2.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.901 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.1 t -91.73 15.54 12.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.33 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 63.65 41.54 7.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.851 0.357 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 26.1 m170 -109.27 149.15 29.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 41.8 mm -98.63 150.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.462 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.597 ' CE1' HG21 ' A' ' 37' ' ' THR . 92.6 m-85 -157.62 172.32 18.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.53 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.773 ' HB3' HG22 ' A' ' 31' ' ' ILE . 19.8 p -97.93 31.13 2.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 tptt 70.17 -63.29 0.4 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.48 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -47.96 -29.23 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.431 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HA ' HD11 ' A' ' 26' ' ' ILE . 38.1 m -60.59 -38.56 85.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.66 ' SD ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -59.11 -38.77 80.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 46' ' ' PHE . 4.5 mp -68.56 -47.8 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.821 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -69.38 -37.87 77.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.594 HD23 ' HB2' ' A' ' 59' ' ' SER . 7.7 tp -71.32 -30.83 66.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 48' ' ' MET . 13.7 mt -82.31 -34.26 28.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -98.56 -0.55 43.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.421 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -59.32 -75.71 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.71 28.92 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mttt 60.28 158.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.54 -156.92 52.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.553 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.79 152.7 12.82 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.606 2.204 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.594 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.09 138.05 34.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.446 ' O ' HD11 ' A' ' 51' ' ' LEU . 14.3 mt-30 -96.83 114.72 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.35 116.74 12.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.538 ' HG3' HG21 ' A' ' 26' ' ' ILE . 82.5 Cg_endo -86.51 39.33 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.714 2.276 . . . . 0.0 112.602 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -133.95 -47.09 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.948 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.0 p -135.0 27.67 3.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tptt 55.7 23.25 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.25 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -60.07 -167.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -140.49 110.58 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.562 ' CG2' HD21 ' A' ' 73' ' ' LEU . 3.9 mt -101.86 141.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.51 49.57 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.717 ' HA ' HD23 ' A' ' 73' ' ' LEU . 3.7 tttt 55.86 -173.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.81 -62.6 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.309 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -21.41 35.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.299 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 70' ' ' LYS . 3.3 mm? -70.76 106.76 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -130.06 123.06 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.28 118.08 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -91.81 157.68 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.6 m -112.96 -21.4 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.262 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.34 -35.39 69.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.07 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.701 ' HA ' HD12 ' A' ' 82' ' ' LEU . 2.9 m-85 -102.77 22.07 14.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.199 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.402 ' CA ' ' HG2' ' A' ' 34' ' ' PRO . 10.5 t -91.5 -58.32 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.661 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.459 ' HB2' HD11 ' B' ' 47' ' ' LEU . 68.2 mt-30 -66.6 -27.77 67.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 79' ' ' PHE . 89.1 mt -59.2 -31.98 69.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.466 HG11 ' O ' ' A' ' 31' ' ' ILE . 20.6 t -75.28 -56.0 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.58 -39.31 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.56 ' OE1' HD13 ' B' ' 47' ' ' LEU . 13.2 mt-10 -60.39 -42.27 95.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.06 -38.0 78.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.705 HD21 HD21 ' A' ' 30' ' ' LEU . 4.1 mm? -59.48 -42.88 93.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -66.32 -32.0 73.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.855 HG22 HD12 ' A' ' 15' ' ' ILE . 15.6 mt -74.81 -31.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.743 HD11 HD12 ' A' ' 86' ' ' LEU . 5.4 mt -79.37 -47.56 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.1 m -59.59 -46.01 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.555 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -59.57 -43.81 93.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.518 ' CE2' HG21 ' A' ' 97' ' ' THR . 13.7 t80 -56.43 -30.69 63.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.28 -30.93 54.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 tp -62.56 -33.24 74.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.55 ' HB3' HD11 ' A' ' 3' ' ' LEU . 1.1 m-20 -96.95 -71.69 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.646 ' HB ' HD13 ' A' ' 99' ' ' LEU . 12.6 p -59.57 -57.39 13.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.82 27.53 23.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.646 HD13 ' HB ' ' A' ' 97' ' ' THR . 9.1 mp -92.09 164.59 13.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -78.55 152.48 31.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.49 ' CG ' HG21 ' A' ' 90' ' ' ILE . 47.6 t80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.62 ' HB1' HD23 ' A' ' 3' ' ' LEU . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.754 ' CZ3' HD22 ' A' ' 3' ' ' LEU . 12.1 m95 60.11 30.72 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.14 -62.11 1.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.555 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.11 -30.64 69.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.5 t -62.46 -31.55 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -44.99 52.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.53 92.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.636 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -66.04 -36.09 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' B' ' 111' ' ' LEU . 14.6 tp -59.76 -46.58 88.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.79 -34.87 76.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -57.87 -39.21 77.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.7 HD13 ' SD ' ' A' ' 18' ' ' MET . 7.7 tt -77.47 -29.96 52.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.86 -31.02 68.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -30.72 64.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.614 ' CB ' HD21 ' A' ' 82' ' ' LEU . 2.8 mp -100.68 18.01 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.215 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.619 HD12 HG12 ' B' ' 105' ' ' ILE . 3.8 mm? -122.76 -41.51 2.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -55.76 130.18 42.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 0.646 ' CA ' HD23 ' B' ' 57' ' ' LEU . 48.0 t -60.15 156.42 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 1.3 m -78.77 -34.06 45.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -60.33 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.787 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 35.9 m -57.39 -22.48 43.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 5.3 t 44.12 62.25 2.05 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.42 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -168.52 -178.49 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.81 75.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.666 ' O ' HG21 ' B' ' 105' ' ' ILE . 2.5 pp -51.38 170.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.488 ' HA ' HD13 ' B' ' 105' ' ' ILE . 1.5 mtp85 -149.86 124.0 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 68.5 tt0 56.36 53.42 7.55 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.607 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.541 ' HG3' HD13 ' B' ' 57' ' ' LEU . 52.1 Cg_endo -69.52 -174.23 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.59 2.193 . . . . 0.0 112.577 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.811 HG13 ' O ' ' B' ' 96' ' ' LYS . 22.3 t -131.34 145.78 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.0 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.3 m -73.67 140.19 45.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.791 HD22 HG23 ' B' ' 75' ' ' VAL . 1.1 tm? -63.04 -63.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.81 -51.59 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.529 ' O ' HG21 ' B' ' 88' ' ' THR . . . -179.49 43.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.523 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 0.5 OUTLIER -121.34 -80.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' B' ' 66' ' ' CYS . 35.0 tt0 177.34 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.436 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 31.3 m80 -55.42 140.32 40.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.168 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.536 HG21 HD13 ' B' ' 101' ' ' LEU . 2.1 mp -131.59 128.99 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.713 ' CE1' HD23 ' B' ' 63' ' ' LEU . 0.7 OUTLIER -129.16 167.24 17.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.867 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 16.0 m -62.36 -169.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.689 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.5 ' HA ' HG23 ' B' ' 61' ' ' VAL . 83.6 p -96.31 27.88 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -156.19 23.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 12.5 m -132.67 -49.86 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.801 HG22 HD11 ' B' ' 79' ' ' ILE . 11.6 p -57.95 -31.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.071 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -64.52 80.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -152.31 -47.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 69.2 m -128.16 38.41 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.785 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.801 HD11 HG22 ' B' ' 75' ' ' VAL . 12.8 mm -73.29 -31.86 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.39 -27.77 68.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.49 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.456 HG23 ' N ' ' B' ' 82' ' ' GLY . 11.1 t -105.53 -47.62 3.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' GLY . . . . . 0.649 ' HA2' ' HB2' ' B' ' 90' ' ' ALA . . . 152.72 -118.3 0.87 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.441 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 45.0 t -118.05 134.31 23.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 120.622 0.248 . . . . 0.0 110.77 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -77.87 -16.67 14.33 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.517 2.145 . . . . 0.0 112.692 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 20.9 t -96.37 -66.78 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.798 0.332 . . . . 0.0 111.336 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 27.0 m -70.8 -14.49 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.319 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 61.94 26.51 16.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.75 0.309 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.529 HG21 ' O ' ' B' ' 65' ' ' GLY . 64.7 m -93.67 128.81 40.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.07 143.1 63.76 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.38 2.054 . . . . 0.0 112.295 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.649 ' HB2' ' HA2' ' B' ' 82' ' ' GLY . . . -68.84 114.52 7.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -94.08 16.57 14.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.327 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.547 HD11 ' O ' ' B' ' 63' ' ' LEU . 14.4 pt -118.19 -41.24 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 61.12 15.77 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ASP . . . . . 0.459 ' O ' HD12 ' B' ' 92' ' ' ILE . 1.5 t0 -160.84 -176.51 5.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.819 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 29.2 mt -109.2 90.9 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.811 ' O ' HG13 ' B' ' 61' ' ' VAL . 11.3 mttp -84.49 -172.37 4.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.486 HD13 ' O ' ' B' ' 96' ' ' LYS . 23.4 mm -131.96 135.39 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.18 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -81.32 81.35 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.757 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -56.98 -32.12 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -81.67 -55.8 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.942 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.536 HD13 HG21 ' B' ' 69' ' ' ILE . 0.3 OUTLIER -60.68 -41.21 94.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.486 ' HA ' HD12 ' B' ' 105' ' ' ILE . 30.0 t0 -59.12 -48.57 81.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.85 -30.45 63.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.545 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.578 ' CE ' HD11 ' B' ' 44' ' ' LEU . 24.9 ttm -71.02 -32.38 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.654 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.666 HG21 ' O ' ' B' ' 57' ' ' LEU . 59.1 mt -59.1 -51.47 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.562 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.73 -31.44 71.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.63 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -62.56 -51.1 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.781 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.5 t -58.52 -31.84 68.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -41.3 93.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.707 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.519 ' HE3' HG22 ' A' ' 14' ' ' VAL . 15.7 mtmt -59.87 -51.33 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.785 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' B' ' 41' ' ' LEU . 0.7 OUTLIER -62.99 -35.86 81.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -38.13 78.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -87.29 -31.24 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.496 ' CD1' HG21 ' A' ' 14' ' ' VAL . 40.3 mt -65.08 -31.54 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.561 HD23 ' HB3' ' B' ' 34' ' ' TRP . 1.9 mt -92.33 -31.22 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.86 -42.09 92.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.599 HD11 ' OD2' ' A' ' 96' ' ' ASP . 3.2 tp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.86 0.362 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m 62.17 21.32 12.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.27 23.32 5.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.419 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 3' ' ' LEU . 12.0 mt -58.28 -53.17 61.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.017 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.6 ttt180 -175.36 49.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.606 ' CG1' HD22 ' A' ' 99' ' ' LEU . 21.5 t -85.13 -30.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.73 -38.72 73.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.458 ' CB ' HD22 ' B' ' 114' ' ' LEU . 7.0 mm-40 -68.71 -52.58 29.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 7' ' ' ARG . 38.9 t -59.13 -47.25 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -53.16 -34.95 59.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -69.5 -30.96 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.49 HG13 ' HE3' ' B' ' 110' ' ' LYS . 34.6 t -73.93 -37.12 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.9 mm -65.12 -32.47 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.98 -45.66 60.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.786 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.78 -44.46 90.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 6.0 ttm -57.72 -41.07 81.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -59.24 -40.09 84.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -59.05 -31.92 69.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 18' ' ' MET . 27.9 mt -70.59 -31.34 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.75 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.737 HD12 HG22 ' A' ' 83' ' ' VAL . 3.8 mm? -105.14 29.58 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.762 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.86 -169.49 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.133 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 10.7 t -114.93 137.47 22.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.944 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -93.86 13.12 1.64 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.976 2.451 . . . . 0.0 114.019 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.574 HG21 ' HE2' ' A' ' 43' ' ' PHE . 2.3 pp -138.0 -40.2 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.548 ' HB3' HD12 ' A' ' 26' ' ' ILE . 28.6 p -125.07 2.34 7.95 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.5 mm? 57.09 29.8 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.343 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.3 mm-40 -103.96 119.61 39.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.608 0.242 . . . . 0.0 110.862 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' CD2' HD21 ' A' ' 87' ' ' LEU . 16.0 tp -38.17 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.385 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.815 HG22 ' SG ' ' A' ' 44' ' ' CYS . 24.1 pt -49.78 133.54 8.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.633 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.43 -33.42 6.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -115.76 80.73 8.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.73 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HG2' ' CA ' ' A' ' 80' ' ' SER . 63.7 Cg_exo -51.34 131.65 36.93 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.597 2.198 . . . . 0.0 112.542 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 35' ' ' VAL . 11.2 p -145.56 120.67 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.861 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.8 p -75.55 128.91 36.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.77 HG22 HD23 ' A' ' 73' ' ' LEU . 4.0 p -95.79 162.94 13.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.7 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HD3' ' CZ3' ' B' ' 91' ' ' TRP . 0.5 OUTLIER -47.82 -28.36 2.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.537 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.8 m -96.26 26.46 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.122 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 54.27 51.22 14.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.29 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.929 ' ND1' HD22 ' A' ' 63' ' ' LEU . 89.5 m-70 -126.02 151.42 47.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.427 HG13 ' CD2' ' A' ' 79' ' ' PHE . 32.8 mm -97.78 138.37 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' HE2' HG21 ' A' ' 26' ' ' ILE . 15.5 m-85 -136.38 177.44 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.815 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.7 m -99.56 30.49 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt 64.02 -75.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.464 ' HA ' HD13 ' A' ' 49' ' ' LEU . 1.1 t80 -52.47 -26.31 12.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.204 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.477 ' SG ' HD11 ' A' ' 26' ' ' ILE . 74.2 m -57.51 -31.42 66.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.561 ' CE ' HD21 ' A' ' 73' ' ' LEU . 9.2 mmt -68.85 -37.3 79.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 46' ' ' PHE . 4.1 mp -59.5 -56.18 25.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -38.64 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.796 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 59' ' ' SER . 20.5 tp -69.99 -32.59 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.703 HD23 ' N ' ' A' ' 59' ' ' SER . 10.3 mt -77.72 -30.93 51.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.38 -20.08 20.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -54.39 -30.6 52.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.104 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -136.77 23.98 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? 60.66 154.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.989 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.09 -156.25 11.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.584 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.12 158.77 3.11 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.593 2.195 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.703 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -91.18 -174.66 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -133.73 113.39 12.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.504 ' HA ' HD11 ' A' ' 68' ' ' ILE . 46.7 t -57.1 109.49 1.77 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.54 -15.4 22.0 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.508 2.139 . . . . 0.0 112.68 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.929 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.7 mp -79.47 -28.37 41.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 111.228 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 m -138.95 21.45 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.274 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.02 28.06 1.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -82.95 -169.15 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -124.62 102.08 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.504 HD11 ' HA ' ' A' ' 61' ' ' CYS . 24.1 mt -82.48 158.59 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.494 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -134.22 -174.62 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 52' ' ' LEU . 15.6 mttm -98.17 33.66 2.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.9 mtm-85 -168.34 34.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.74 -43.2 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.77 HD23 HG22 ' A' ' 37' ' ' THR . 1.9 mp -60.07 169.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -141.63 91.19 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.29 102.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.0 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 m -130.2 -175.77 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.579 HG23 ' OG ' ' A' ' 80' ' ' SER . 82.1 m -114.34 85.68 2.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -53.16 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.717 ' O ' HG23 ' A' ' 83' ' ' VAL . 42.2 m-85 -108.39 33.3 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.741 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.579 ' OG ' HG23 ' A' ' 77' ' ' THR . 21.8 p -85.56 -41.56 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.717 ' HB2' HD22 ' B' ' 47' ' ' LEU . 7.3 mm-40 -83.53 -31.2 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.721 HD23 HD12 ' B' ' 47' ' ' LEU . 44.6 mt -63.15 -30.78 71.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.737 HG22 HD12 ' A' ' 22' ' ' LEU . 25.6 t -82.93 -34.7 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -76.68 -49.72 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -41.34 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.729 ' HA ' HD12 ' A' ' 89' ' ' ILE . 19.3 tp -57.59 -47.68 81.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.873 ' HA ' HD12 ' A' ' 90' ' ' ILE . 49.5 mt -57.05 -31.04 64.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -73.89 -37.19 64.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.759 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 86' ' ' LEU . 18.2 mt -66.92 -32.7 59.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 87' ' ' LEU . 11.9 mt -68.29 -42.46 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.1 m -64.8 -36.35 84.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' B' ' 36' ' ' HIS . . . -59.74 -40.72 89.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.442 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -59.13 -56.17 25.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -62.32 -30.9 71.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.12 -41.93 93.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.599 ' OD2' HD11 ' A' ' 3' ' ' LEU . 37.4 t0 -98.55 -65.74 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.648 ' HB ' HD13 ' A' ' 99' ' ' LEU . 14.6 p -58.64 -56.59 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.99 26.96 22.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.548 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.648 HD13 ' HB ' ' A' ' 97' ' ' THR . 8.3 mp -94.11 165.97 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.58 131.06 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.582 ' CD2' HG21 ' A' ' 90' ' ' ILE . 38.3 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.811 0.339 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 34' ' ' TRP . . . . . 0.586 ' CZ2' HD23 ' A' ' 3' ' ' LEU . 25.7 m95 60.14 31.5 20.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.86 -60.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.01 -30.72 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -35.24 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -44.3 54.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.0 75.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.572 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -59.84 -31.49 69.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' B' ' 111' ' ' LEU . 48.6 tp -60.75 -46.87 88.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -59.68 -36.08 75.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -61.81 -40.93 96.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.506 HD23 HD12 ' B' ' 48' ' ' LEU . 8.0 tt -71.09 -31.22 67.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -58.88 -39.87 82.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -26.29 60.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.721 HD12 HD23 ' A' ' 82' ' ' LEU . 6.4 mt -79.65 -30.01 41.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.683 HD22 HG13 ' B' ' 105' ' ' ILE . 10.5 mt -93.32 -25.24 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -52.72 122.14 8.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' CYS . . . . . 0.535 ' HB2' HD23 ' B' ' 57' ' ' LEU . 42.5 t -55.97 149.85 14.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -29.9 59.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -97.88 -58.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.408 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.1 m -63.91 -16.76 62.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.308 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.1 t 44.63 45.31 7.91 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.921 0.391 . . . . 0.0 111.382 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -157.46 -172.39 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.819 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 34.0 mm -68.2 128.86 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.782 ' O ' HG21 ' B' ' 105' ' ' ILE . 0.4 OUTLIER -112.37 151.69 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.459 ' HA ' HD13 ' B' ' 105' ' ' ILE . 6.8 ptt-85 -127.74 119.46 25.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 11.3 tt0 58.84 54.31 5.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.706 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 41.4 Cg_endo -67.25 177.15 4.0 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.605 2.204 . . . . 0.0 112.362 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.781 HG13 ' O ' ' B' ' 96' ' ' LYS . 38.4 t -124.64 146.86 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.474 ' O ' HD13 ' B' ' 92' ' ' ILE . 29.3 p -77.32 134.67 38.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.697 HD23 ' CE1' ' B' ' 70' ' ' PHE . 0.5 OUTLIER -58.75 -58.72 7.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.07 -66.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.781 ' O ' HG21 ' B' ' 88' ' ' THR . . . -157.6 40.93 0.53 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.585 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.1 p -123.39 -145.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -131.05 42.43 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 111.077 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.436 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.4 m170 -135.5 137.35 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.608 HG21 ' CD1' ' B' ' 101' ' ' LEU . 3.2 mp -126.01 141.2 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.697 ' CE1' HD23 ' B' ' 63' ' ' LEU . 0.5 OUTLIER -139.25 173.0 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 15.8 m -62.26 -176.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.711 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.505 ' HA ' HG23 ' B' ' 61' ' ' VAL . 53.9 p -102.16 26.37 7.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -148.68 17.58 1.01 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.458 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 7.0 p -133.35 -44.94 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 111.053 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.833 HG22 HG12 ' B' ' 79' ' ' ILE . 12.0 p -62.96 -30.9 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 50.0 m -53.03 -30.71 37.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.43 105.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.821 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 6.5 m 59.32 25.71 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.833 HG12 HG22 ' B' ' 75' ' ' VAL . 0.3 OUTLIER -54.05 -41.52 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.448 -179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.62 69.63 1.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.533 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 58.2 m -163.76 -44.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.833 0.349 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.42 140.64 5.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.363 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 51.7 t -56.76 133.14 78.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.584 0.231 . . . . 0.0 110.978 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.6 -19.37 8.8 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.593 2.195 . . . . 0.0 112.703 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.2 t -91.53 -26.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.323 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 61.3 m -103.22 -22.97 13.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 62.36 38.73 12.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.914 0.388 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.781 HG21 ' O ' ' B' ' 65' ' ' GLY . 0.2 OUTLIER -114.69 142.66 28.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 89' ' ' PRO . . . . . 0.65 ' HD2' HG22 ' B' ' 88' ' ' THR . 57.9 Cg_endo -71.69 144.05 43.31 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.442 2.095 . . . . 0.0 112.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.4 113.68 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' TRP . . . . . 0.43 ' CZ3' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -95.21 18.45 12.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.237 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.474 HD13 ' O ' ' B' ' 62' ' ' CYS . 1.8 pt -127.0 92.47 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.29 -29.55 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.08 -177.15 3.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.431 ' HG ' HG21 ' B' ' 61' ' ' VAL . 6.5 tp -100.99 80.91 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.781 ' O ' HG13 ' B' ' 61' ' ' VAL . 8.8 mttt -63.65 176.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.487 HD13 ' O ' ' B' ' 96' ' ' LYS . 24.1 mm -131.72 134.32 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.112 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.14 90.68 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -58.96 -39.28 81.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -69.18 -56.43 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.608 ' CD1' HG21 ' B' ' 69' ' ' ILE . 13.4 mt -60.23 -36.78 78.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.629 ' HA ' HD12 ' B' ' 105' ' ' ILE . 31.3 t0 -56.83 -60.48 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' SER . . . . . 0.624 ' O ' HD23 ' B' ' 107' ' ' LEU . 3.1 m -60.63 -31.29 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.74 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' MET . . . . . 0.62 ' HG3' HD21 ' B' ' 48' ' ' LEU . 30.2 tpp -60.31 -38.15 82.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.782 HG21 ' O ' ' B' ' 57' ' ' LEU . 5.6 mt -66.22 -44.51 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -30.69 68.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' LEU . . . . . 0.873 HD13 ' HE2' ' B' ' 110' ' ' LYS . 3.9 mm? -66.96 -44.18 81.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.5 t -59.21 -36.02 74.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.796 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 36.5 m -66.98 -32.05 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.781 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' LYS . . . . . 0.873 ' HE2' HD13 ' B' ' 107' ' ' LEU . 23.4 mtmt -60.7 -48.94 79.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.732 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' B' ' 114' ' ' LEU . 1.4 mp -59.86 -35.6 75.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -59.68 -39.09 83.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -74.95 -40.78 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' B' ' 111' ' ' LEU . 4.5 mt -69.47 -31.25 69.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.535 HD12 ' O ' ' B' ' 111' ' ' LEU . 7.4 mt -75.92 -55.13 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -73.22 -31.33 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.22 35.0 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.445 HD22 ' CH2' ' B' ' 34' ' ' TRP . 0.9 OUTLIER 58.37 30.77 20.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.83 ' HB2' HD23 ' A' ' 6' ' ' LEU . 3.5 m 62.2 17.6 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.219 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.47 21.7 5.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.428 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 4' ' ' SER . 2.6 pp -88.33 107.49 18.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.7 39.75 31.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.713 HG12 HD22 ' A' ' 99' ' ' LEU . 21.4 t -99.87 -30.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.14 -31.61 64.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 14' ' ' VAL . 7.1 mt-10 -66.66 -48.69 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.522 HG22 HD13 ' B' ' 114' ' ' LEU . 23.9 t -58.22 -56.01 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.226 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -49.28 -32.22 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -31.4 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.668 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.5 HG13 HD23 ' B' ' 107' ' ' LEU . 36.9 t -79.3 -30.53 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.978 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.597 HG22 ' CE1' ' A' ' 101' ' ' TYR . 33.4 mm -71.57 -35.82 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -70.9 -51.59 25.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.9 ' HB3' HD21 ' B' ' 107' ' ' LEU . . . -58.44 -29.91 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.981 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.517 ' HA ' HD13 ' B' ' 107' ' ' LEU . 10.1 tpp -68.26 -43.87 76.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.404 ' N ' HD21 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -59.67 -29.53 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -58.44 -42.89 88.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.866 HG21 ' CG ' ' B' ' 104' ' ' MET . 4.7 mp -67.33 -29.45 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.73 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.628 HD12 ' CG2' ' A' ' 83' ' ' VAL . 3.6 mm? -105.65 35.14 2.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -99.61 -169.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.467 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 9.9 t -111.61 138.71 21.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.931 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -93.69 11.6 1.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.96 2.44 . . . . 0.0 114.042 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.778 HD11 ' SG ' ' A' ' 47' ' ' CYS . 2.1 pp -138.97 -52.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.7 ' N ' HD12 ' A' ' 26' ' ' ILE . 25.5 p -106.0 -3.98 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 60.6 31.95 20.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.581 0.229 . . . . 0.0 111.358 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.5 mm-40 -111.62 124.75 52.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.623 0.249 . . . . 0.0 110.751 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.5 tp -38.11 101.78 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.479 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.827 HG22 ' SG ' ' A' ' 44' ' ' CYS . 28.4 pt -53.69 138.46 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.618 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -108.76 -44.95 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -107.58 77.55 0.61 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.39 120.24 7.97 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.62 2.213 . . . . 0.0 112.49 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.508 HG23 ' C ' ' A' ' 74' ' ' GLN . 10.6 p -129.24 132.29 67.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 p -81.15 123.16 28.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.417 HG21 ' CD1' ' A' ' 43' ' ' PHE . 77.3 p -91.86 162.89 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' CE ' ' CH2' ' B' ' 91' ' ' TRP . 4.8 tptm -45.96 -28.29 1.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.728 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.6 t -94.02 26.8 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.316 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 52.83 38.67 27.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.342 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.918 ' ND1' HD22 ' A' ' 63' ' ' LEU . 36.3 m-70 -115.47 158.02 23.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.663 HD11 HH22 ' A' ' 78' ' ' ARG . 42.5 mm -100.49 155.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.406 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 33.0 m-85 -152.33 -177.53 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.608 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.827 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.2 m -102.45 22.95 12.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.915 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? 69.27 -65.27 0.3 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -56.35 -34.41 66.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.778 ' SG ' HD11 ' A' ' 26' ' ' ILE . 25.6 m -58.23 -33.76 69.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.824 ' HG3' HD13 ' A' ' 73' ' ' LEU . 3.4 mmt -70.9 -34.16 71.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.05 -44.62 91.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.786 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -40.15 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.747 HD23 ' OG ' ' A' ' 59' ' ' SER . 6.6 tp -64.45 -30.56 71.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.529 HD13 ' HD3' ' A' ' 70' ' ' LYS . 7.8 mt -94.07 -29.04 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -65.53 -31.07 71.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.12 132.31 53.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.1 70.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.53 18.25 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.93 -154.33 49.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.546 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.693 ' HB3' HG22 ' A' ' 69' ' ' THR . 82.0 Cg_exo -45.42 141.04 7.87 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.748 2.299 . . . . 0.0 112.609 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.747 ' OG ' HD23 ' A' ' 51' ' ' LEU . 5.4 t -57.6 154.14 11.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -118.25 107.37 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.502 ' CB ' HD11 ' A' ' 68' ' ' ILE . 25.2 t -51.42 107.0 0.72 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.204 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.91 -9.09 25.02 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.37 2.047 . . . . 0.0 112.444 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.918 HD22 ' ND1' ' A' ' 41' ' ' HIS . 3.6 mp -77.95 -36.52 49.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.046 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.8 p -115.81 -52.76 2.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.849 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.84 -35.91 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.302 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.433 ' HA ' ' N ' ' A' ' 61' ' ' CYS . 18.5 p30 -178.27 -155.83 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.834 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 16.4 t70 82.8 68.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.947 0.403 . . . . 0.0 111.686 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.502 HD11 ' CB ' ' A' ' 61' ' ' CYS . 20.5 mt -157.05 142.94 9.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.816 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.693 HG22 ' HB3' ' A' ' 58' ' ' PRO . 31.0 p -144.95 165.69 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.529 ' HD3' HD13 ' A' ' 52' ' ' LEU . 1.5 mmtp -60.18 -65.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.767 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -73.85 64.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.433 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 1.1 m -147.4 -66.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.824 HD13 ' HG3' ' A' ' 48' ' ' MET . 0.4 OUTLIER -58.3 163.68 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.985 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.508 ' C ' HG23 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -169.09 130.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.87 100.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.1 m -95.57 -25.21 16.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 77' ' ' THR . 95.2 m 62.59 67.09 0.73 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.663 HH22 HD11 ' A' ' 42' ' ' ILE . 11.4 ttp-105 -112.17 -36.78 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.76 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.756 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 m-85 -104.79 30.25 5.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.763 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.3 p -84.31 -63.31 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -58.4 -29.81 66.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.599 HD22 ' SD ' ' B' ' 104' ' ' MET . 19.9 mt -65.61 -31.42 72.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 79' ' ' PHE . 34.9 t -83.52 -46.37 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.48 -46.23 80.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' B' ' 47' ' ' LEU . 5.9 mm-40 -59.78 -49.94 75.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.485 HD13 ' HG2' ' A' ' 18' ' ' MET . 14.3 tp -51.03 -44.8 61.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.991 0.424 . . . . 0.0 111.005 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.645 ' HA ' HD12 ' A' ' 90' ' ' ILE . 13.9 mt -55.11 -38.4 68.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.23 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -26.2 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.096 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.786 HG12 ' HB1' ' B' ' 40' ' ' ALA . 43.8 mt -69.9 -42.32 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 87' ' ' LEU . 3.6 mt -65.88 -34.43 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.049 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.52 -41.31 98.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.691 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -65.44 -35.89 82.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -59.14 -54.48 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.88 -30.15 70.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -40.17 84.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -98.34 -72.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.698 ' HB ' HD13 ' A' ' 99' ' ' LEU . 11.5 p -60.24 -52.74 63.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.41 27.5 43.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.594 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.713 HD22 HG12 ' A' ' 8' ' ' VAL . 10.5 mp -89.03 161.49 16.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.49 149.64 48.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.597 ' CE1' HG22 ' A' ' 15' ' ' ILE . 24.7 t80 -107.42 -57.36 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -174.49 151.67 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.89 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 1.1 ttp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.89 0.376 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -143.93 157.97 56.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.15 -41.9 3.42 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.565 2.177 . . . . 0.0 112.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -127.82 31.31 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.61 93.66 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 68.31 -69.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.5 -53.64 4.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.6 168.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.464 ' HB3' HD23 ' B' ' 115' ' ' LEU . 22.6 m95 59.44 30.18 19.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.06 -51.96 10.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.691 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -62.26 -31.3 71.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.403 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 2.8 t -68.87 -36.32 77.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.68 ' HD2' HD13 ' B' ' 115' ' ' LEU . 0.6 OUTLIER -60.37 -45.01 95.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.87 73.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.786 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -68.02 -38.4 82.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' B' ' 111' ' ' LEU . 13.3 tp -59.97 -50.18 74.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.52 -37.63 76.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -61.86 -52.23 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.823 ' O ' HD23 ' B' ' 44' ' ' LEU . 5.3 tt -64.32 -32.92 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.39 -37.45 80.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.981 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -30.77 67.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.422 HD12 HD23 ' A' ' 82' ' ' LEU . 13.3 mt -79.55 -12.79 59.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.288 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -109.93 -26.01 9.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.713 0.292 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -51.38 119.23 3.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.117 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 0.682 ' HB2' HD23 ' B' ' 57' ' ' LEU . 54.1 t -58.49 156.51 10.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -82.69 -38.42 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.4 -56.27 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.407 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.0 m -72.31 -9.62 58.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.369 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.52 41.02 4.35 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.954 0.407 . . . . 0.0 111.427 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.92 176.88 10.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.572 HD12 ' H ' ' B' ' 56' ' ' ILE . 4.0 mp -57.73 134.95 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.804 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.811 HD13 ' HG3' ' B' ' 60' ' ' PRO . 0.3 OUTLIER -110.34 176.87 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.745 ' HA ' HD13 ' B' ' 105' ' ' ILE . 0.1 OUTLIER -142.31 118.79 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.549 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 33.7 tt0 53.27 52.58 10.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.51 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.811 ' HG3' HD13 ' B' ' 57' ' ' LEU . 61.1 Cg_endo -72.84 -173.78 1.32 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.632 2.221 . . . . 0.0 112.633 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 96' ' ' LYS . 7.3 p -126.69 144.5 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.804 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 44.5 t -61.0 -99.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.632 ' HG ' HG21 ' B' ' 75' ' ' VAL . 1.1 tm? 76.59 -52.64 0.59 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.813 0.34 . . . . 0.0 111.035 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.56 73.92 0.23 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.76 -25.0 14.31 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.653 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -87.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.394 0.14 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -155.69 23.21 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.654 0.264 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.43 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 8.5 m80 -111.5 158.12 19.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 111.001 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.723 HD13 HD11 ' B' ' 101' ' ' LEU . 7.4 mt -150.17 147.03 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' B' ' 51' ' ' SER . 0.1 OUTLIER -143.89 170.75 15.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.454 ' O ' HG12 ' B' ' 61' ' ' VAL . 5.4 m -67.96 176.53 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.721 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.9 m -94.32 22.67 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.77 19.17 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.199 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 10.0 m -127.57 -46.58 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.849 HG22 HD13 ' B' ' 79' ' ' ILE . 10.0 p -67.57 -30.12 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.021 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -24.89 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.263 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -94.77 25.25 4.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.054 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.02 32.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.76 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.849 HD13 HG22 ' B' ' 75' ' ' VAL . 17.6 mm -78.1 -26.52 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.236 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.07 42.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.681 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 80.9 m -107.98 -70.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.75 -113.84 0.64 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.6 t -91.02 134.15 30.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.571 0.224 . . . . 0.0 110.792 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.61 -12.9 18.35 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.474 2.116 . . . . 0.0 112.905 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.43 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 21.7 t -107.15 -67.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 111.345 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 87.4 m -65.68 -15.84 63.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 61.85 21.33 12.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.721 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.484 HG23 ' HD2' ' B' ' 89' ' ' PRO . 85.0 m -77.74 139.7 62.7 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.779 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PRO . . . . . 0.484 ' HD2' HG23 ' B' ' 88' ' ' THR . 44.4 Cg_endo -68.24 143.81 60.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.435 2.09 . . . . 0.0 112.258 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.454 ' HB1' HD21 ' B' ' 63' ' ' LEU . . . -60.02 144.73 48.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.065 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' TRP . . . . . 0.45 ' CH2' ' CE ' ' A' ' 38' ' ' LYS . 16.5 t90 -108.73 -23.77 11.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 pt -111.04 115.0 48.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -69.19 -41.46 77.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.16 146.44 23.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.66 78.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.57 ' O ' HG23 ' B' ' 61' ' ' VAL . 71.9 mttt -71.74 172.12 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.48 HG22 ' N ' ' B' ' 98' ' ' ASN . 25.9 mm -129.7 158.74 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ASN . . . . . 0.48 ' N ' HG22 ' B' ' 97' ' ' ILE . 5.5 m120 -121.27 97.99 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -60.06 -31.26 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -62.69 -64.29 0.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.723 HD11 HD13 ' B' ' 69' ' ' ILE . 19.1 mt -57.79 -33.2 68.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.704 ' HA ' HD12 ' B' ' 105' ' ' ILE . 62.0 t0 -63.32 -47.99 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -31.36 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.763 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.866 ' CG ' HG21 ' A' ' 21' ' ' ILE . 2.5 mtp -62.94 -37.85 88.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.745 HG21 ' O ' ' B' ' 57' ' ' LEU . 6.5 mt -64.92 -49.52 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -43.33 83.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.9 HD21 ' HB3' ' A' ' 17' ' ' ALA . 2.6 mt -62.25 -44.64 96.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.32 -34.96 72.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -61.26 -39.1 89.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.635 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.743 ' CE ' HD23 ' B' ' 107' ' ' LEU . 1.5 mtpp -57.51 -59.15 5.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.72 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.555 ' CB ' HD13 ' B' ' 41' ' ' LEU . 5.3 mt -48.96 -35.83 16.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.073 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.405 ' HA ' HD12 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -58.4 -39.9 80.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -76.59 -35.37 58.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' B' ' 111' ' ' LEU . 55.4 mt -59.76 -38.52 82.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.68 HD13 ' HD2' ' B' ' 38' ' ' ARG . 1.0 OUTLIER -75.43 -38.53 59.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -68.78 -41.38 78.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.57 109.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -83.32 105.33 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -97.16 92.78 6.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.408 HD23 ' N ' ' B' ' 121' ' ' SER . 2.9 tt -160.52 130.82 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' SER . . . . . 0.408 ' N ' HD23 ' B' ' 120' ' ' LEU . 80.2 p -87.27 -74.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.929 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.845 0.355 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -148.02 159.48 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.845 HD11 ' CZ2' ' B' ' 34' ' ' TRP . 0.2 OUTLIER -104.66 49.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.788 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 76.42 1.99 3.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.621 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.96 23.58 6.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.73 0.3 . . . . 0.0 111.454 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.718 HD21 HD12 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -52.25 -29.51 23.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.194 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.404 ' O ' ' CZ2' ' B' ' 34' ' ' TRP . 5.6 ttt180 -179.1 74.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.533 HG12 HD22 ' A' ' 99' ' ' LEU . 30.3 t -107.84 -46.04 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.84 -33.92 72.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 14' ' ' VAL . 58.8 mm-40 -68.27 -55.46 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.552 HG13 ' CD2' ' B' ' 111' ' ' LEU . 25.0 t -58.53 -39.85 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -44.28 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.061 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.54 -30.07 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.562 ' O ' HD12 ' B' ' 107' ' ' LEU . 25.1 t -67.79 -30.0 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.22 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.408 ' CG2' HG12 ' A' ' 90' ' ' ILE . 10.2 mm -79.35 -36.15 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -65.02 -52.36 56.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.892 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.04 -43.78 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.553 ' SD ' HD13 ' B' ' 44' ' ' LEU . 12.8 ttm -56.4 -48.13 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' N ' HD21 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -59.25 -36.26 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.868 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -62.47 -32.77 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.783 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 18' ' ' MET . 32.9 mt -68.64 -30.63 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.782 HD22 ' CD1' ' A' ' 79' ' ' PHE . 5.5 mt -111.45 30.39 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.666 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -87.18 -165.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 11.7 t -112.06 138.79 21.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.005 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -93.72 12.81 1.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 123.012 2.475 . . . . 0.0 114.08 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 27' ' ' CYS . 2.5 pp -141.3 -51.76 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.731 ' N ' HD12 ' A' ' 26' ' ' ILE . 23.5 p -106.56 -3.65 20.55 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 59.28 33.29 22.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.355 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.6 mm-40 -111.94 127.19 55.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.618 0.247 . . . . 0.0 110.795 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 30' ' ' LEU . 11.9 tp -38.66 99.51 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.962 0.411 . . . . 0.0 111.264 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.836 HG22 ' SG ' ' A' ' 44' ' ' CYS . 28.8 pt -49.15 132.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.845 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -103.07 -46.18 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.293 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -107.24 74.61 0.41 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.153 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HG3' ' CA ' ' A' ' 80' ' ' SER . 13.8 Cg_endo -56.95 126.67 22.98 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.804 2.336 . . . . 0.0 112.738 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 27.6 m -126.03 176.7 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.453 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 p -127.2 114.49 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.551 HG21 ' CE1' ' A' ' 43' ' ' PHE . 7.8 p -84.12 158.96 21.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HA ' ' CZ3' ' B' ' 91' ' ' TRP . 17.9 tttt -47.5 -26.41 1.39 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.643 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.5 t -91.23 23.83 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 111.361 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 54.97 34.97 23.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.229 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.862 ' ND1' HD22 ' A' ' 63' ' ' LEU . 26.5 m-70 -107.87 161.97 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 40.0 mm -109.07 147.99 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 111.629 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.551 ' CE1' HG21 ' A' ' 37' ' ' THR . 37.7 m-85 -147.03 -177.64 5.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.836 ' SG ' HG22 ' A' ' 31' ' ' ILE . 5.5 m -100.47 29.64 4.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.623 ' NZ ' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER 69.15 -69.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -26.94 68.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.388 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.727 ' SG ' HD11 ' A' ' 26' ' ' ILE . 68.1 m -52.07 -29.07 19.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.769 0.319 . . . . 0.0 111.127 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.788 ' HE1' HD13 ' A' ' 68' ' ' ILE . 43.0 mmm -77.56 -32.01 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -52.76 47.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -39.55 74.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.728 HD23 ' HB3' ' A' ' 59' ' ' SER . 6.7 tp -60.05 -30.5 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 48' ' ' MET . 4.1 mt -74.78 -30.97 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -90.44 -30.71 17.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -59.16 -31.57 69.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -123.56 135.97 54.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -59.55 111.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.46 -156.76 15.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -51.51 176.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.59 2.194 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.728 ' HB3' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -71.32 -39.6 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.52 104.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 t -52.56 108.93 1.21 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.48 -9.14 25.23 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.332 2.021 . . . . 0.0 112.45 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.862 HD22 ' ND1' ' A' ' 41' ' ' HIS . 3.3 mp -82.09 -31.24 30.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.124 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.3 m -117.47 -61.81 1.65 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.882 0.372 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.79 -30.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.49 138.92 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.89 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.34 39.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.788 HD13 ' HE1' ' A' ' 48' ' ' MET . 6.3 mt -151.39 153.35 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -162.03 67.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mttt 63.25 -79.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -87.16 55.28 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.404 ' HB2' HG23 ' A' ' 68' ' ' ILE . 4.3 m -111.27 -51.47 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.623 HD11 ' NZ ' ' A' ' 45' ' ' LYS . 1.1 pt? -75.59 -174.31 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -151.86 130.88 12.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HA ' HG12 ' A' ' 35' ' ' VAL . 9.2 tt0 -74.16 136.29 42.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -168.02 -175.47 2.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.3 m -127.76 92.79 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.421 ' HG2' HD11 ' B' ' 69' ' ' ILE . 4.9 ttm105 -127.47 -53.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.782 ' CD1' HD22 ' A' ' 22' ' ' LEU . 2.2 m-85 -98.34 28.53 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.4 ' CA ' ' HG3' ' A' ' 34' ' ' PRO . 28.9 t -90.69 -62.27 1.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.71 ' HB2' HD11 ' B' ' 47' ' ' LEU . 6.3 mt-30 -57.61 -28.82 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.641 HD22 ' SD ' ' B' ' 104' ' ' MET . 3.3 mt -67.77 -33.08 74.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 79' ' ' PHE . 38.1 t -77.47 -41.68 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.51 -47.7 66.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.789 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -39.55 79.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' A' ' 89' ' ' ILE . 13.3 tp -59.92 -45.28 93.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.734 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.831 ' HA ' HD12 ' A' ' 90' ' ' ILE . 7.2 tp -55.92 -31.97 63.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.78 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -73.42 -33.01 64.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 86' ' ' LEU . 29.5 mt -68.62 -34.84 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 87' ' ' LEU . 3.9 mt -71.69 -44.18 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.2 m -58.99 -34.46 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.804 ' HB1' ' ND1' ' B' ' 36' ' ' HIS . . . -68.04 -38.59 82.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.042 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.471 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 9.4 t80 -58.61 -49.22 78.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -64.57 -27.41 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -50.4 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.573 ' OD2' HD22 ' A' ' 3' ' ' LEU . 9.8 t70 -93.32 -66.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.841 HG22 HD21 ' A' ' 3' ' ' LEU . 10.6 p -60.19 -57.23 13.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.39 28.08 31.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.603 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.675 HD13 ' HB ' ' A' ' 97' ' ' THR . 10.1 mp -87.3 162.03 17.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -69.29 176.37 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.756 ' CD2' HG21 ' A' ' 90' ' ' ILE . 86.3 t80 -162.7 -62.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.79 -47.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.959 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 31.1 mtp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.818 0.342 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 60.19 80.09 0.28 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.11 107.6 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.551 2.167 . . . . 0.0 112.369 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -134.74 80.36 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.2 34.63 90.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -64.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.44 -119.28 0.96 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.557 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.9 146.53 45.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.845 ' CZ2' HD11 ' A' ' 3' ' ' LEU . 21.9 m95 60.23 31.34 20.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.73 -50.34 8.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.804 ' ND1' ' HB1' ' A' ' 92' ' ' ALA . 9.5 p80 -60.02 -29.68 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.995 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.604 ' OG ' HD21 ' B' ' 115' ' ' LEU . 29.1 t -71.87 -35.71 69.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.455 ' HG3' HD22 ' B' ' 115' ' ' LEU . 68.0 mtp180 -60.19 -42.14 94.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.09 64.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.625 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -59.86 -42.01 92.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.505 HD13 ' CB ' ' B' ' 111' ' ' LEU . 5.1 tp -59.57 -41.62 90.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.22 -31.49 70.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -64.08 -46.72 83.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.573 HD21 ' SD ' ' B' ' 104' ' ' MET . 8.3 tt -67.84 -32.91 73.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.74 -39.58 85.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.7 -30.84 67.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 81' ' ' GLN . 3.8 mm? -74.23 -31.28 62.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.656 HD23 HG12 ' B' ' 105' ' ' ILE . 3.9 mp -88.76 -22.55 23.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.54 117.54 2.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 0.614 ' HB2' HD23 ' B' ' 57' ' ' LEU . 50.5 t -56.86 155.41 7.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -37.61 41.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -86.3 -56.79 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.4 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.1 m -67.27 -14.42 62.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.299 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.47 37.01 1.87 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.803 0.335 . . . . 0.0 111.299 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -159.05 -171.76 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.779 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -59.32 126.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.83 ' O ' HD13 ' B' ' 105' ' ' ILE . 0.4 OUTLIER -107.55 -178.72 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.1 125.22 9.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.1 tp10 54.79 52.39 8.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.485 ' HG3' HD13 ' B' ' 57' ' ' LEU . 71.7 Cg_endo -76.89 179.62 6.32 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.532 2.155 . . . . 0.0 112.584 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.617 HG22 ' O ' ' B' ' 96' ' ' LYS . 21.2 t -124.07 152.81 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.047 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.43 -77.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.619 HD22 HD11 ' B' ' 92' ' ' ILE . 0.2 OUTLIER 76.56 107.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.812 -179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.409 ' CA ' HG22 ' B' ' 88' ' ' THR . . . 75.71 -66.44 2.4 Favored Glycine 0 C--N 1.318 -0.466 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.633 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.13 56.31 0.84 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -122.04 -86.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.62 0.248 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -157.4 23.93 0.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 110.982 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.433 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 32.7 m170 -132.53 115.42 15.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.964 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.538 HG21 HD13 ' B' ' 101' ' ' LEU . 3.3 mp -119.95 145.83 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -136.56 176.41 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.8 p -92.43 156.18 17.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.6 t -58.64 -20.59 49.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.28 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -94.16 19.59 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.485 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 8.3 m -141.87 -53.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.819 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.926 HG22 ' CD1' ' B' ' 79' ' ' ILE . 13.1 p -59.3 -29.98 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 5.8 m -54.04 -23.93 15.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.285 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -94.01 25.15 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 5.6 t -163.69 30.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.926 ' CD1' HG22 ' B' ' 75' ' ' VAL . 12.5 mm -91.4 160.94 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' GLY . . . . . 0.467 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 98.51 -34.61 5.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.092 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -95.48 -63.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.623 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLY . . . . . 0.421 ' HA2' ' HB2' ' B' ' 90' ' ' ALA . . . 145.25 -114.34 0.76 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.354 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.8 t -121.16 134.31 24.39 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.618 0.247 . . . . 0.0 110.766 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.13 -11.75 13.35 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.611 2.207 . . . . 0.0 113.036 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.433 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 21.2 t -106.85 -67.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 111.378 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 93.8 m -64.93 -15.03 61.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 65.43 20.75 11.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.409 HG22 ' CA ' ' B' ' 64' ' ' GLY . 90.7 m -84.71 113.7 50.97 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.761 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.05 142.66 53.34 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.297 1.998 . . . . 0.0 112.245 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.421 ' HB2' ' HA2' ' B' ' 82' ' ' GLY . . . -57.86 89.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' TRP . . . . . 0.43 ' CZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -56.39 -24.07 42.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.331 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.619 HD11 HD22 ' B' ' 63' ' ' LEU . 1.3 pt -106.78 96.2 4.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -59.2 -33.65 71.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.69 155.86 17.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' B' ' 95' ' ' LEU . 12.1 mt -65.06 80.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.617 ' O ' HG22 ' B' ' 61' ' ' VAL . 19.5 mttm -77.3 169.54 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.446 HD13 ' O ' ' B' ' 96' ' ' LYS . 24.1 mm -131.59 153.92 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.277 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -111.77 87.85 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.663 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -37.72 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.19 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.525 ' O ' HG21 ' A' ' 21' ' ' ILE . 12.6 mm100 -62.07 -44.15 97.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.824 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.538 HD13 HG21 ' B' ' 69' ' ' ILE . 10.4 mt -69.6 -44.87 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -65.06 -50.67 65.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.8 t -53.77 -33.05 54.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.669 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.737 ' HE3' HD21 ' A' ' 22' ' ' LEU . 23.3 ttm -67.25 -34.88 78.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.552 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.83 HD13 ' O ' ' B' ' 57' ' ' LEU . 36.0 mt -58.11 -45.09 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.597 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.28 -38.32 83.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.453 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.908 HD13 ' CE ' ' B' ' 110' ' ' LYS . 3.7 mm? -66.23 -50.3 64.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.461 ' SG ' HD11 ' B' ' 41' ' ' LEU . 52.8 t -57.97 -36.26 72.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.72 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -35.3 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.63 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.908 ' CE ' HD13 ' B' ' 107' ' ' LEU . 21.5 mtmt -60.52 -50.34 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.671 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.552 ' CD2' HG13 ' A' ' 11' ' ' VAL . 5.2 mt -58.28 -34.17 70.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.61 82.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -79.77 -31.81 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.766 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.51 HD12 ' C ' ' B' ' 110' ' ' LYS . 11.3 mt -71.09 -35.87 71.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' B' ' 34' ' ' TRP . 12.2 mt -71.45 -36.63 71.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -130.44 108.28 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.17 83.31 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.51 137.87 39.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -95.48 164.83 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 25.4 tp -131.14 -46.38 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m -81.69 -62.95 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 p30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.906 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 ttp . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.874 0.369 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.71 30.79 1.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.57 HD11 ' OD2' ' A' ' 96' ' ' ASP . 1.1 tp 59.07 30.88 20.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 59.18 26.21 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 62.51 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.43 HD22 ' HE1' ' B' ' 34' ' ' TRP . 0.1 OUTLIER 61.65 -78.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 5' ' ' ALA . 2.4 ttt85 -167.65 33.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 5' ' ' ALA . 21.6 t -59.12 -30.69 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.72 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.809 ' HB3' HD21 ' B' ' 114' ' ' LEU . 1.8 mp0 -59.33 -41.58 89.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.62 HG22 HD23 ' B' ' 114' ' ' LEU . 23.9 t -69.84 -31.09 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.054 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.59 -36.33 82.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -71.88 -31.26 66.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' GLU . 28.1 t -65.66 -55.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.11 -30.05 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.11 -49.12 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -59.8 -42.49 93.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.723 ' HB3' HD21 ' A' ' 86' ' ' LEU . 6.3 ttm -56.8 -47.01 81.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -39.5 86.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -59.81 -36.5 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 18' ' ' MET . 47.3 mt -63.24 -27.77 43.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.8 HD21 ' SD ' ' B' ' 104' ' ' MET . 3.5 mt -114.62 44.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.586 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.41 -174.32 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 9.5 t -104.01 140.41 21.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.546 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.447 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 69.4 Cg_endo -91.99 -10.74 2.31 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.696 2.264 . . . . 0.0 114.773 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.57 HD11 ' CB ' ' A' ' 47' ' ' CYS . 3.1 pt -131.63 -33.71 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.479 ' N ' HG13 ' A' ' 26' ' ' ILE . 16.6 m -101.93 -15.87 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.607 0.241 . . . . 0.0 111.335 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 3.3 mm? 60.24 26.77 16.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.821 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.5 mt-10 -111.5 125.89 54.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 tp -41.2 100.21 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.582 HG22 ' HB3' ' A' ' 44' ' ' CYS . 34.3 pt -50.92 133.43 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.509 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -110.85 -29.98 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -114.31 83.19 8.1 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.748 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HG2' ' N ' ' A' ' 80' ' ' SER . 75.3 Cg_exo -50.13 125.58 15.19 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.591 2.194 . . . . 0.0 112.55 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 35' ' ' VAL . 11.5 p -140.63 119.4 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 t -78.65 138.0 38.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.0 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.542 HG21 ' HE1' ' A' ' 48' ' ' MET . 9.8 p -107.05 161.04 15.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HA ' ' CZ3' ' B' ' 91' ' ' TRP . 8.3 tttp -48.94 -26.01 2.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.496 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.8 t -91.65 21.87 4.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 t70 56.4 42.19 27.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 1.111 ' CD2' HD22 ' A' ' 63' ' ' LEU . 19.3 m80 -124.15 158.14 33.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.065 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 43' ' ' PHE . 51.5 mm -100.75 157.87 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.325 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' N ' HG22 ' A' ' 42' ' ' ILE . 45.1 m-85 -152.34 -177.21 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.54 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.582 ' HB3' HG22 ' A' ' 31' ' ' ILE . 24.6 p -128.13 45.56 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 111.345 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.62 157.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.656 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.418 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER 75.84 -49.22 0.61 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.102 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.57 ' CB ' HD11 ' A' ' 26' ' ' ILE . 22.8 m -45.59 -29.88 1.33 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.826 0.346 . . . . 0.0 111.189 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.546 ' HE2' HD11 ' A' ' 73' ' ' LEU . 3.1 mmm -78.57 -36.99 43.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 49' ' ' LEU . 7.8 mp -66.26 -55.33 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -60.11 -47.09 87.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.36 -30.8 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 48' ' ' MET . 34.4 mt -86.12 -32.13 21.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -77.86 -37.2 48.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -59.88 -31.62 69.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -124.6 115.91 21.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -59.67 104.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.62 -163.15 19.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.592 ' HB3' HG22 ' A' ' 69' ' ' THR . 54.4 Cg_exo -52.05 142.58 43.88 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.434 ' OG ' HG22 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -60.11 -175.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -150.61 105.36 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.7 t -47.78 107.76 0.79 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.301 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.05 -5.17 16.73 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.37 2.047 . . . . 0.0 112.481 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.111 HD22 ' CD2' ' A' ' 41' ' ' HIS . 4.1 mp -82.31 -34.15 28.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.011 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 p -118.25 -55.4 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 171.69 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.3 p30 172.12 139.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.63 40.95 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.434 HG22 ' OG ' ' A' ' 59' ' ' SER . 11.3 mt -148.49 150.52 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 58' ' ' PRO . 0.7 OUTLIER -123.48 -179.06 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -80.84 134.16 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? 60.44 78.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.534 ' C ' HD22 ' A' ' 73' ' ' LEU . 2.0 m -174.89 77.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.546 HD11 ' HE2' ' A' ' 48' ' ' MET . 4.2 mm? -123.46 167.21 14.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -136.03 76.38 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.74 102.31 2.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.94 151.19 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -78.49 79.54 4.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.87 ' HG2' HD11 ' B' ' 69' ' ' ILE . 6.7 ttm180 -116.84 -58.67 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.755 ' HA ' HD12 ' A' ' 82' ' ' LEU . 4.3 m-85 -99.15 33.63 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -92.63 -59.09 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.508 ' HB2' HD22 ' B' ' 47' ' ' LEU . 45.7 mt-30 -63.2 -29.88 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.782 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 79' ' ' PHE . 17.4 mt -64.88 -42.22 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.68 HG22 ' HB3' ' A' ' 22' ' ' LEU . 29.6 t -69.8 -43.36 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.04 -48.03 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.79 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -34.38 73.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -59.38 -43.64 92.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.741 ' HA ' HD12 ' A' ' 90' ' ' ILE . 27.3 mt -59.61 -40.39 87.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -63.93 -37.77 88.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 86' ' ' LEU . 15.7 mt -70.01 -30.2 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 86' ' ' LEU . 7.2 mt -78.77 -44.91 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.6 m -59.28 -49.75 76.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.8 83.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.516 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 37.4 t80 -57.99 -51.21 70.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -72.13 -28.34 63.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.0 tp -58.09 -31.49 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.57 ' OD2' HD11 ' A' ' 3' ' ' LEU . 36.0 t0 -105.47 -60.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.691 ' HB ' HD13 ' A' ' 99' ' ' LEU . 21.5 p -59.9 -46.29 89.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.61 24.59 49.69 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.583 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.691 HD13 ' HB ' ' A' ' 97' ' ' THR . 9.2 mp -90.98 164.35 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.337 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.44 148.49 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.543 ' CD2' HG21 ' A' ' 90' ' ' ILE . 8.8 t80 -106.36 168.69 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.51 153.98 21.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.913 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.878 0.371 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -147.66 87.22 6.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.06 -37.41 8.49 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.613 2.208 . . . . 0.0 112.254 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 60.67 -176.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.9 32.03 2.15 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -150.74 36.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.84 123.04 1.02 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.62 146.97 46.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.806 ' HB3' HD23 ' B' ' 115' ' ' LEU . 12.3 m95 60.65 37.19 19.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.58 -55.53 3.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -60.16 -31.36 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.521 ' CB ' HD21 ' B' ' 115' ' ' LEU . 14.8 m -65.94 -40.19 91.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.469 ' HG2' HD13 ' B' ' 115' ' ' LEU . 20.8 mtp180 -60.58 -38.81 85.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.38 -55.18 14.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.24 73.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.526 HD12 ' HB3' ' B' ' 111' ' ' LEU . 8.7 tt -60.5 -48.73 80.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -32.45 71.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -60.64 -39.21 87.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.522 HD13 ' SD ' ' A' ' 18' ' ' MET . 7.1 tt -67.9 -34.28 76.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.07 -41.78 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.6 -22.19 43.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.609 HD12 HD23 ' A' ' 82' ' ' LEU . 12.7 mt -87.49 -20.81 26.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.209 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' B' ' 105' ' ' ILE . 5.8 mp -100.98 -22.7 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.343 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -46.99 124.78 6.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.23 144.4 35.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -28.73 69.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.11 -63.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 26.8 m -57.02 -22.64 40.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t 43.93 65.18 1.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.985 0.421 . . . . 0.0 111.414 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -169.49 -179.17 3.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.405 ' CG2' HG23 ' B' ' 105' ' ' ILE . 34.9 mm -66.77 75.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.841 ' O ' HG21 ' B' ' 105' ' ' ILE . 0.3 OUTLIER -57.2 -179.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.679 ' HA ' HD13 ' B' ' 105' ' ' ILE . 0.0 OUTLIER -152.52 127.09 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.763 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 32.8 tt0 55.19 53.69 9.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.685 ' HB3' HD22 ' B' ' 57' ' ' LEU . 58.0 Cg_endo -71.62 -176.02 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.497 2.131 . . . . 0.0 112.659 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.874 HG13 ' O ' ' B' ' 96' ' ' LYS . 4.9 t -120.23 149.42 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.066 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 10.8 m -73.78 -26.96 60.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.864 HD23 HG21 ' B' ' 75' ' ' VAL . 1.7 tm? 80.88 -51.75 0.31 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.71 -83.37 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.568 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.737 ' O ' HG21 ' B' ' 88' ' ' THR . . . -114.06 36.8 3.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.396 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 53.0 t -133.41 109.11 9.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.371 . . . . 0.0 110.685 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.1 -25.02 4.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.405 ' O ' ' CE1' ' B' ' 70' ' ' PHE . 12.8 m80 -76.52 118.79 19.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.87 HD11 ' HG2' ' A' ' 78' ' ' ARG . 3.2 mp -97.65 141.43 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -130.56 170.09 14.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.75 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 10.7 m -64.8 172.88 2.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.688 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.5 t -95.36 26.26 3.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -145.54 19.68 1.51 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 5.4 m -129.83 -45.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.153 0.501 . . . . 0.0 110.398 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.864 HG21 HD23 ' B' ' 63' ' ' LEU . 9.2 p -79.15 -29.37 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.96 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 24.4 p -51.55 -25.25 6.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.293 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.11 24.96 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -165.66 31.5 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.856 HD13 HG22 ' B' ' 75' ' ' VAL . 14.2 mm -82.42 -26.76 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.84 -27.46 36.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.638 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.9 m -108.18 -65.84 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.71 -116.18 0.73 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.42 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 40.0 t -124.39 112.53 27.86 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.54 0.21 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.66 -14.0 40.07 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.483 2.122 . . . . 0.0 112.475 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 12.9 t -80.58 -68.41 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.748 0.308 . . . . 0.0 111.252 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 31.2 p -77.86 -11.11 59.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.375 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 64.9 38.4 6.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.737 HG21 ' O ' ' B' ' 65' ' ' GLY . 91.4 m -105.17 132.97 20.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.3 143.27 76.37 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.372 2.048 . . . . 0.0 112.254 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.01 120.93 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' TRP . . . . . 0.423 ' CZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -87.29 -24.67 24.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' B' ' 96' ' ' LYS . 1.3 pt -108.45 105.89 19.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.59 -41.15 89.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -94.66 151.99 18.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' B' ' 95' ' ' LEU . 12.0 tp -65.34 79.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.874 ' O ' HG13 ' B' ' 61' ' ' VAL . 28.7 mttm -68.14 160.22 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.428 HD13 ' O ' ' B' ' 96' ' ' LYS . 27.0 mm -129.24 150.74 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -108.06 94.95 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 22.7 mtt-85 -58.62 -29.52 66.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 21' ' ' ILE . 11.3 mm100 -72.07 -59.84 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.719 HD13 HG21 ' B' ' 69' ' ' ILE . 1.5 mt -57.6 -36.77 72.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.737 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.587 ' HA ' HD12 ' B' ' 105' ' ' ILE . 47.1 t0 -63.32 -50.32 70.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.603 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.3 t -61.92 -31.89 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.635 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.8 ' SD ' HD21 ' A' ' 22' ' ' LEU . 4.2 mtp -59.97 -37.0 78.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.732 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.841 HG21 ' O ' ' B' ' 57' ' ' LEU . 10.1 mt -66.83 -45.89 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.19 -31.94 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.705 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -61.8 -48.66 79.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.47 ' SG ' HD21 ' B' ' 41' ' ' LEU . 52.8 t -60.45 -33.06 72.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.9 t -59.76 -39.95 86.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.664 ' O ' HD13 ' B' ' 114' ' ' LEU . 12.9 mtmt -61.97 -53.52 54.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.526 ' HB3' HD12 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -59.86 -36.25 76.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -59.56 -42.77 93.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.91 -34.21 44.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 10' ' ' GLU . 9.7 mp -70.22 -31.27 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.806 HD23 ' HB3' ' B' ' 34' ' ' TRP . 6.7 mt -69.63 -51.06 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -66.64 -74.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -176.21 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 62.38 149.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.09 86.76 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 tp -101.41 152.02 21.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.29 105.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.9 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.836 0.351 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.52 142.57 37.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.648 HD13 HG22 ' A' ' 97' ' ' THR . 2.0 mp -59.3 -175.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.84 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.414 ' HB2' HD23 ' A' ' 6' ' ' LEU . 57.1 m -54.38 -24.87 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.181 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.669 ' HA ' HG23 ' A' ' 8' ' ' VAL . . . 63.88 19.26 11.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.375 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.471 HD21 ' CZ2' ' B' ' 34' ' ' TRP . 0.7 OUTLIER -64.32 -28.62 69.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.987 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -177.07 47.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.756 HG11 HD11 ' A' ' 99' ' ' LEU . 35.7 t -68.24 -31.04 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.122 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.69 -50.9 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 14' ' ' VAL . 23.5 mm-40 -58.57 -54.0 51.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.729 HG13 HD23 ' B' ' 111' ' ' LEU . 21.6 t -59.79 -31.15 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.48 ' HA ' HD12 ' A' ' 15' ' ' ILE . 13.3 tm0? -72.03 -33.64 68.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.817 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -72.23 -39.33 68.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.76 HG22 ' HE3' ' B' ' 110' ' ' LYS . 20.8 t -59.79 -42.0 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 12' ' ' GLN . 5.5 mt -68.14 -31.25 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -74.47 -41.77 60.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.996 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -60.98 -54.2 47.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.682 ' HA ' HD12 ' A' ' 21' ' ' ILE . 13.7 ptp -57.37 -32.06 66.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.39 -38.59 84.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -62.37 -30.6 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 18' ' ' MET . 29.9 mt -68.44 -29.32 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.786 HD12 HG22 ' A' ' 83' ' ' VAL . 3.5 mm? -111.87 32.66 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.31 -168.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.466 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 9.5 t -116.21 138.83 24.53 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.952 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 24' ' ' CYS . 63.0 Cg_endo -92.91 11.6 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.943 2.429 . . . . 0.0 113.951 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.78 HD11 ' SG ' ' A' ' 47' ' ' CYS . 1.9 pp -139.22 -53.72 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.657 ' N ' HD12 ' A' ' 26' ' ' ILE . 27.7 p -105.6 -1.61 24.47 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 58.51 32.03 21.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.514 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 55.8 mt-10 -110.03 123.36 49.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.621 0.248 . . . . 0.0 110.885 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.051 HD12 HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -36.57 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.466 -179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.78 HG22 ' SG ' ' A' ' 44' ' ' CYS . 1.4 pp -53.53 113.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.578 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -39.26 13.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.721 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -102.41 89.24 1.63 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.681 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.03 102.09 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.506 2.137 . . . . 0.0 112.401 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.639 HG21 ' CE ' ' A' ' 45' ' ' LYS . 12.8 p -116.1 125.55 73.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.3 p -81.58 119.58 23.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.056 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.469 HG21 ' CD1' ' A' ' 43' ' ' PHE . 18.1 p -86.01 162.9 18.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.712 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -47.87 -27.4 2.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.542 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 t -94.04 25.3 3.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.215 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 53.59 46.16 26.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 111.211 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.951 ' ND1' HD22 ' A' ' 63' ' ' LEU . 33.8 m-70 -122.89 154.6 38.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.44 ' CG2' HD13 ' A' ' 31' ' ' ILE . 39.8 mm -98.1 149.84 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.379 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 28.3 m-85 -149.67 -176.82 5.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.707 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.78 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.3 m -100.33 22.66 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.056 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.639 ' CE ' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER 68.84 -65.47 0.28 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.023 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.823 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -55.58 -30.15 60.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.78 ' SG ' HD11 ' A' ' 26' ' ' ILE . 25.7 m -57.96 -36.19 72.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.679 ' SD ' HD11 ' A' ' 73' ' ' LEU . 15.1 mmt -62.43 -40.84 97.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 46' ' ' PHE . 5.5 mt -61.33 -55.58 30.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -39.9 95.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 59' ' ' SER . 14.0 tp -64.87 -35.97 82.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 59' ' ' SER . 4.0 mp -78.91 -32.14 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -82.58 -31.0 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -59.6 109.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt 61.24 155.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 132.32 44.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.34 168.31 12.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.29 -173.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.605 2.204 . . . . 0.0 112.395 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.685 ' HB3' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -82.05 -35.89 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 62.56 100.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 t -53.37 108.34 1.08 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.39 4.86 6.25 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.562 2.175 . . . . 0.0 112.919 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.951 HD22 ' ND1' ' A' ' 41' ' ' HIS . 2.1 mp -98.42 -34.03 10.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.714 0.292 . . . . 0.0 111.228 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.8 m -113.39 -81.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.101 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -177.56 63.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.987 0.422 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 64.86 134.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.72 39.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.565 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 69' ' ' THR . 6.9 mt -148.39 163.44 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.602 ' O ' HD21 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -155.87 -58.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.508 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -177.93 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.053 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? -69.32 74.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.666 ' C ' HD22 ' A' ' 73' ' ' LEU . 2.6 m -176.95 36.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.679 HD11 ' SD ' ' A' ' 48' ' ' MET . 3.9 mm? -121.99 142.04 50.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -151.68 99.98 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.13 100.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.1 p -99.83 156.41 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 77' ' ' THR . 90.5 m -103.57 64.76 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.682 ' HG2' HD11 ' B' ' 69' ' ' ILE . 4.9 mtm105 -114.73 -44.66 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.725 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.694 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.3 m-85 -104.68 31.43 4.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 p -86.32 -58.44 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.487 ' HB2' HD11 ' B' ' 47' ' ' LEU . 9.1 mm-40 -67.78 -31.25 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 79' ' ' PHE . 66.6 mt -59.75 -40.85 89.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.051 HG13 HD12 ' A' ' 30' ' ' LEU . 42.8 t -70.91 -51.57 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.01 -44.31 93.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -58.97 -38.63 79.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.816 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.4 -39.56 83.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.561 HD21 ' HG ' ' A' ' 30' ' ' LEU . 3.5 mm? -59.83 -41.57 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -64.2 -32.42 73.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.816 HD12 ' HA ' ' A' ' 86' ' ' LEU . 17.4 mt -72.82 -42.11 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.818 HD13 ' CE2' ' A' ' 101' ' ' TYR . 31.2 mt -74.63 -42.21 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 36.6 m -60.39 -37.64 81.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.728 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -69.77 -36.95 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.3 -51.88 67.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -60.41 -31.17 70.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.77 -31.29 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.487 ' CB ' HD11 ' A' ' 3' ' ' LEU . 3.5 t0 -104.88 -69.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.648 HG22 HD13 ' A' ' 3' ' ' LEU . 32.2 p -65.83 -41.83 91.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 64.34 26.47 70.65 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.548 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.756 HD11 HG11 ' A' ' 8' ' ' VAL . 12.6 mt -82.11 152.38 26.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.744 0.307 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.2 132.89 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.818 ' CE2' HD13 ' A' ' 90' ' ' ILE . 3.2 t80 -98.84 171.46 8.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.08 -69.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.91 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 4.4 ttt . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.818 0.342 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -106.38 152.49 40.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.01 -168.34 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.648 2.232 . . . . 0.0 112.181 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -131.53 -46.65 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.77 152.47 17.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 60.61 -170.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.46 62.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.6 152.03 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.083 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.808 ' HB3' HD23 ' B' ' 115' ' ' LEU . 1.6 m95 61.5 38.24 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.16 -64.35 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.728 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -62.92 -31.47 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -69.35 -31.61 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.448 ' NH2' ' CE1' ' B' ' 116' ' ' HIS . 0.1 OUTLIER -66.32 -41.91 88.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -53.5 52.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.432 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -59.81 -32.38 70.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.074 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.694 HD22 ' CD1' ' B' ' 115' ' ' LEU . 14.7 tp -59.9 -46.05 90.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -61.53 -34.88 76.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -60.08 -36.03 76.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' B' ' 48' ' ' LEU . 2.0 tt -70.53 -41.42 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.69 -30.35 67.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.79 -22.0 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.506 ' CB ' HD21 ' A' ' 82' ' ' LEU . 3.3 mm? -92.57 -25.81 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.51 ' CD2' HD23 ' B' ' 44' ' ' LEU . 3.7 mm? -84.54 -28.77 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.199 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 122.19 8.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.052 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 0.62 ' HB2' HD23 ' B' ' 57' ' ' LEU . 43.9 t -58.95 156.39 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.45 ' CB ' ' CE2' ' B' ' 70' ' ' PHE . 0.4 OUTLIER -81.86 -36.44 28.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.438 ' HD3' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -94.37 -63.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.786 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.404 ' O ' ' CG2' ' B' ' 54' ' ' THR . 21.7 m -59.81 -19.42 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.222 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 4.7 t 44.32 67.21 0.71 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 111.431 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -177.5 -174.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 33.9 mm -67.96 127.58 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.009 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.778 ' O ' HD13 ' B' ' 105' ' ' ILE . 0.4 OUTLIER -112.85 172.27 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.455 ' HA ' HD13 ' B' ' 105' ' ' ILE . 0.0 OUTLIER -142.77 119.17 10.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.741 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 3.6 tt0 57.56 53.34 6.09 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.618 ' HG3' HD13 ' B' ' 57' ' ' LEU . 60.8 Cg_endo -72.74 -168.38 0.4 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.625 2.217 . . . . 0.0 112.458 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.504 HG13 ' O ' ' B' ' 96' ' ' LYS . 30.9 t -136.51 152.1 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 17.8 p -98.09 125.34 43.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.747 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.475 HD23 ' CG1' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -58.96 -67.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.061 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -146.86 -99.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.38 49.22 0.86 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.3 p -122.75 -146.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -114.89 -30.68 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -59.9 123.9 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.682 HD11 ' HG2' ' A' ' 78' ' ' ARG . 3.6 mt -127.16 147.77 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.002 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 1.3 m-85 -140.82 162.73 34.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 13.8 p -71.62 163.01 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.6 t -69.41 70.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -178.98 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 98.0 m -64.28 -46.95 81.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.475 ' CG1' HD23 ' B' ' 63' ' ' LEU . 35.5 m -76.7 -32.48 20.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.26 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.443 ' HA ' HD11 ' B' ' 95' ' ' LEU . 25.2 t -48.06 -28.49 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.341 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.29 -49.39 64.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 12.3 p -137.36 56.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.649 HD11 ' CD1' ' B' ' 92' ' ' ILE . 0.6 OUTLIER -95.62 139.7 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.404 179.813 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 80' ' ' GLY . . . . . 0.443 ' N ' HG13 ' B' ' 79' ' ' ILE . . . 112.4 -29.65 8.14 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.809 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -75.24 -28.93 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' B' ' 89' ' ' PRO . . . 106.71 139.66 9.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.401 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 43.8 t -56.45 127.06 71.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.506 0.193 . . . . 0.0 111.047 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.05 -17.62 11.83 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.47 2.113 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.72 -66.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 31.8 p -76.4 -6.6 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.394 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 62.33 34.28 15.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 18.3 m -109.94 138.25 20.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PRO . . . . . 0.402 ' HA ' ' HA3' ' B' ' 82' ' ' GLY . 64.6 Cg_endo -73.64 144.49 35.67 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.454 2.103 . . . . 0.0 112.372 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.56 95.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.99 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -57.23 -23.29 46.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.268 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.649 ' CD1' HD11 ' B' ' 79' ' ' ILE . 1.5 pt -102.01 93.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.15 -30.46 69.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -99.22 161.07 13.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' B' ' 76' ' ' SER . 4.3 mm? -71.85 72.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.642 ' HD2' HG22 ' B' ' 92' ' ' ILE . 9.4 mttp -69.37 175.74 3.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.473 HG22 ' N ' ' B' ' 98' ' ' ASN . 22.2 mm -132.66 158.88 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.188 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ASN . . . . . 0.473 ' N ' HG22 ' B' ' 97' ' ' ILE . 9.6 m120 -113.57 84.94 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -30.47 66.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.033 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -69.01 -45.44 70.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' B' ' 101' ' ' LEU . 12.4 mt -71.29 -32.41 68.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.827 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.539 ' HA ' HD12 ' B' ' 105' ' ' ILE . 40.3 t0 -61.44 -53.39 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.512 ' O ' HD23 ' B' ' 107' ' ' LEU . 0.3 OUTLIER -63.24 -30.33 71.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.626 ' HG2' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -59.18 -43.42 92.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.778 HD13 ' O ' ' B' ' 57' ' ' LEU . 4.7 mt -62.64 -49.9 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -30.29 68.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.996 HD11 ' HB3' ' A' ' 17' ' ' ALA . 2.4 mm? -68.9 -51.18 42.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -31.4 69.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -65.65 -38.22 88.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.76 ' HE3' HG22 ' A' ' 14' ' ' VAL . 27.6 mtmt -60.44 -50.28 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' B' ' 114' ' ' LEU . 13.3 mt -59.95 -35.55 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -58.86 -42.85 90.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -73.96 -31.19 62.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' B' ' 111' ' ' LEU . 8.2 mt -74.31 -44.74 51.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' B' ' 34' ' ' TRP . 4.5 mt -60.35 -50.6 72.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' HIS . . . . . 0.448 ' CE1' ' NH2' ' B' ' 38' ' ' ARG . 10.8 m-70 -80.31 -31.04 38.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 t0 61.62 153.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -106.04 35.83 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -141.88 89.55 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.1 tt -141.08 -55.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 51.7 m 60.35 85.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.821 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.414 ' O ' HG21 ' A' ' 8' ' ' VAL . 66.0 m-20 -154.67 29.92 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.622 HD21 ' HB1' ' B' ' 33' ' ' ALA . 0.2 OUTLIER 56.66 32.4 21.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.477 ' HB2' HD23 ' A' ' 6' ' ' LEU . 0.7 OUTLIER 62.39 18.57 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.082 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.92 22.64 5.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.739 0.304 . . . . 0.0 111.416 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 6' ' ' LEU . 2.8 pp -87.95 109.42 19.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 56.26 30.66 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 2' ' ' ASP . 22.0 t -94.46 -30.78 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.98 -47.44 62.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.712 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.4 mp0 -58.65 -55.93 28.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.88 HG22 HD13 ' B' ' 114' ' ' LEU . 32.8 t -58.92 -32.35 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.85 -44.09 97.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -71.91 -34.39 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.773 HG13 HD23 ' B' ' 107' ' ' LEU . 39.9 t -59.81 -58.64 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.596 HD11 HG12 ' A' ' 11' ' ' VAL . 5.1 mt -55.56 -34.2 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.508 HD21 ' HB2' ' A' ' 102' ' ' ALA . 20.6 t-20 -68.37 -35.56 77.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.711 ' HB3' HD21 ' B' ' 107' ' ' LEU . . . -70.66 -35.66 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.717 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.79 ' HB3' HD11 ' A' ' 86' ' ' LEU . 7.0 tpp -61.61 -35.72 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.31 -39.75 78.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.853 HD13 ' HG2' ' B' ' 104' ' ' MET . 55.5 mt -59.08 -42.66 87.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.72 HD23 ' CD2' ' A' ' 79' ' ' PHE . 1.2 mp -107.57 40.38 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -92.11 -178.27 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.428 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.8 t -99.27 139.58 21.05 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.468 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 62.4 Cg_endo -92.79 -12.53 1.58 Allowed 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.739 2.293 . . . . 0.0 114.602 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.842 HD11 ' HA ' ' A' ' 47' ' ' CYS . 4.0 pt -129.39 -34.95 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.519 ' N ' HG13 ' A' ' 26' ' ' ILE . 21.4 m -98.63 -18.87 17.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.759 0.314 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.428 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 2.1 mm? 62.08 26.73 16.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.778 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.7 mm-40 -113.76 127.13 55.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.758 HD11 HG13 ' A' ' 83' ' ' VAL . 22.0 tp -38.91 101.82 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 111.428 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 44' ' ' CYS . 40.4 pt -51.72 134.91 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.617 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.19 -38.24 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.634 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -114.53 81.77 7.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.521 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.403 ' HG2' ' N ' ' A' ' 80' ' ' SER . 71.6 Cg_exo -48.59 137.2 26.4 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.753 2.302 . . . . 0.0 112.781 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.407 HG22 ' HD3' ' A' ' 45' ' ' LYS . 4.8 t -138.08 126.31 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.826 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 p -93.99 109.68 21.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.599 HG21 ' CE2' ' A' ' 43' ' ' PHE . 5.2 p -75.44 159.68 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HD3' ' CD1' ' B' ' 91' ' ' TRP . 11.4 mmtt -49.55 -26.37 3.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.468 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.7 m -92.63 21.79 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 t0 57.13 53.16 8.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.351 . . . . 0.0 111.18 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.941 ' ND1' HD22 ' A' ' 63' ' ' LEU . 89.2 m-70 -125.62 147.68 49.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.884 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.403 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 41.7 mm -94.87 152.02 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.066 0.46 . . . . 0.0 111.386 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.599 ' CE2' HG21 ' A' ' 37' ' ' THR . 71.7 m-85 -157.19 -177.73 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.732 ' HB3' HG22 ' A' ' 31' ' ' ILE . 19.8 p -116.48 31.72 6.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.795 0.331 . . . . 0.0 110.975 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HD3' HG22 ' A' ' 35' ' ' VAL . 3.5 mmmm 69.18 -64.34 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.535 ' HA ' HD12 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -47.57 -29.16 2.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.842 ' HA ' HD11 ' A' ' 26' ' ' ILE . 85.8 m -62.95 -38.06 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.0 mmt -63.89 -31.27 72.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 46' ' ' PHE . 18.5 mt -66.79 -58.62 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -64.56 -36.02 82.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tp -70.65 -31.29 68.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 59' ' ' SER . 29.7 mt -79.88 -41.97 25.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -93.42 1.64 56.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.404 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.787 0.327 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -88.73 -78.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -179.98 132.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.91 -155.87 35.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.59 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.68 153.54 5.48 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.663 2.242 . . . . 0.0 112.439 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.618 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -60.61 -169.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.782 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -152.09 99.1 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.004 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.6 t -46.57 104.86 0.43 Allowed Pre-proline 0 CA--C 1.53 0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.236 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.44 -3.69 14.24 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.456 2.104 . . . . 0.0 112.766 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.941 HD22 ' ND1' ' A' ' 41' ' ' HIS . 5.0 mp -93.45 -25.66 17.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.727 0.298 . . . . 0.0 111.302 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 96.1 m -119.86 -81.94 0.64 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.081 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.9 61.62 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.965 0.412 . . . . 0.0 110.756 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 63.97 133.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.2 41.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 69' ' ' THR . 20.6 mt -140.16 159.41 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.263 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -133.71 -174.24 3.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -67.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.25 93.33 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -160.8 29.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.99 -178.27 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -140.04 86.14 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.46 101.52 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -126.39 166.17 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.7 m -93.22 80.97 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.843 ' CD ' HD11 ' B' ' 69' ' ' ILE . 41.6 mtm-85 -116.98 -59.05 2.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.72 ' CD2' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -98.96 30.61 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -91.13 -64.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.642 ' CB ' HD21 ' B' ' 47' ' ' LEU . 7.4 mt-30 -59.64 -30.0 68.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.664 ' HB3' HD21 ' A' ' 22' ' ' LEU . 15.2 mt -63.18 -36.87 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.758 HG13 HD11 ' A' ' 30' ' ' LEU . 34.3 t -71.18 -52.94 23.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.09 -39.47 75.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.48 -42.54 92.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.706 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 18' ' ' MET . 0.2 OUTLIER -53.36 -47.2 69.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' A' ' 90' ' ' ILE . 7.8 mp -58.79 -32.02 68.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -71.55 -34.2 69.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.849 HG12 ' HB1' ' B' ' 40' ' ' ALA . 34.1 mt -74.49 -43.01 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.972 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.8 mt -63.59 -39.63 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -45.52 92.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.948 ' HB1' ' CG ' ' B' ' 36' ' ' HIS . . . -59.71 -33.34 71.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 97' ' ' THR . 17.5 t80 -59.23 -49.14 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -68.88 -27.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 92' ' ' ALA . 12.5 mt -60.12 -46.88 88.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.083 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -94.73 -65.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.182 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.598 HG21 ' CE1' ' A' ' 93' ' ' PHE . 1.8 p -64.97 -58.04 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.732 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.55 14.48 56.89 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.542 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.426 ' CD2' ' HB ' ' A' ' 97' ' ' THR . 3.1 mm? -79.18 151.69 31.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 117.066 0.433 . . . . 0.0 110.846 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.45 168.49 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.421 ' CD1' HG23 ' A' ' 90' ' ' ILE . 55.8 t80 -132.92 163.9 28.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.508 ' HB2' HD21 ' A' ' 16' ' ' ASN . . . -59.72 147.95 35.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.851 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.803 0.335 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.421 ' CB ' ' CD ' ' B' ' 28' ' ' PRO . 2.1 mt-10 -178.48 -61.58 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' B' ' 27' ' ' GLU . 58.2 Cg_endo -71.58 133.58 22.56 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.431 2.088 . . . . 0.0 112.351 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.28 151.13 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.69 161.5 54.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.522 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -106.18 149.83 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.7 -151.61 5.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.562 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.622 ' HB1' HD21 ' A' ' 3' ' ' LEU . . . -162.2 175.15 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.564 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 19.5 m95 58.6 28.1 16.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.45 -53.99 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.948 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 1.5 p80 -62.48 -29.88 70.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.847 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.408 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 24.5 t -66.82 -39.02 87.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -49.41 77.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.811 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.11 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.003 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.849 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -67.37 -41.54 84.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.692 HD12 ' HB3' ' B' ' 111' ' ' LEU . 3.6 tt -58.88 -46.49 87.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.54 -31.39 72.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -67.41 -43.89 80.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.655 ' O ' HD23 ' B' ' 44' ' ' LEU . 4.0 tt -66.03 -37.01 84.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.808 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.65 -32.17 73.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -57.92 -26.92 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.646 HD23 ' HG ' ' A' ' 82' ' ' LEU . 6.7 mp -93.46 16.21 14.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.259 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.542 HD11 HD22 ' B' ' 101' ' ' LEU . 1.5 mp -131.53 -39.6 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.184 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -44.55 111.76 0.34 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.301 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 50.6 t -54.48 154.69 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.61 -37.6 41.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.409 ' HD3' ' CD2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -88.88 -61.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' THR . 93.5 m -60.9 -19.56 60.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.59 45.01 7.7 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.855 0.359 . . . . 0.0 111.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -157.7 -168.01 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' B' ' 105' ' ' ILE . 34.5 mm -63.08 146.22 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.483 HD12 ' HG ' ' B' ' 48' ' ' LEU . 76.4 mt -86.76 165.6 15.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.27 100.36 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.584 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.588 ' CG ' HG21 ' B' ' 97' ' ' ILE . 6.4 tt0 56.15 51.84 6.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 73.9 Cg_endo -75.35 175.4 11.32 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.62 2.213 . . . . 0.0 112.587 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.941 HG22 HD13 ' B' ' 97' ' ' ILE . 47.5 t -136.1 143.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.54 167.47 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.762 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.479 HD23 ' CG1' ' B' ' 75' ' ' VAL . 0.5 OUTLIER -107.78 -51.83 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -59.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.96 42.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.421 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 p -120.9 30.64 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.006 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 61.96 19.3 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.16 124.39 50.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.843 HD11 ' CD ' ' A' ' 78' ' ' ARG . 15.5 mt -138.74 142.09 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.409 ' CD2' ' HD3' ' B' ' 52' ' ' ARG . 1.6 m-85 -147.33 178.1 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 21.9 m -59.73 173.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.652 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.3 OUTLIER -63.08 -42.56 99.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -95.67 19.42 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.234 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.63 -30.8 11.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.479 ' CG1' HD23 ' B' ' 63' ' ' LEU . 33.4 m -104.66 -36.74 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.338 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.403 ' HA ' ' CG2' ' B' ' 79' ' ' ILE . 37.6 t -41.42 -30.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.851 -179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -47.96 -44.03 29.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.876 0.37 . . . . 0.0 110.983 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' CYS . . . . . 0.845 ' O ' HG22 ' B' ' 81' ' ' THR . 6.6 m -136.48 12.12 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.103 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 1.102 HD11 HD11 ' B' ' 92' ' ' ILE . 0.1 OUTLIER -56.9 133.55 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.402 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.6 -26.51 10.09 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.845 HG22 ' O ' ' B' ' 78' ' ' CYS . 12.0 t -94.61 -30.95 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.72 140.25 5.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.42 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' CYS . . . . . 0.423 ' N ' HD11 ' B' ' 63' ' ' LEU . 53.8 t -58.41 116.32 14.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.97 -2.36 12.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.436 2.091 . . . . 0.0 112.698 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 t -103.14 -24.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.774 0.321 . . . . 0.0 111.281 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.06 -19.91 13.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 65.99 49.07 1.66 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.474 HG23 ' HD2' ' B' ' 89' ' ' PRO . 89.9 m -132.58 139.31 34.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' B' ' 88' ' ' THR . 57.2 Cg_endo -71.08 149.41 58.45 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.436 2.091 . . . . 0.0 112.317 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.5 145.84 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' TRP . . . . . 0.417 ' CD1' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -128.15 18.35 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 1.102 HD11 HD11 ' B' ' 79' ' ' ILE . 15.7 pt -106.76 -37.82 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 70.54 -59.63 0.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.022 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.96 -176.46 5.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.687 HD13 HG11 ' B' ' 61' ' ' VAL . 4.4 mm? -101.61 72.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.739 ' O ' HG13 ' B' ' 61' ' ' VAL . 0.0 OUTLIER -70.79 140.79 51.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.941 HD13 HG22 ' B' ' 61' ' ' VAL . 25.1 mm -104.78 137.82 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -80.63 87.18 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.792 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -58.96 -30.58 68.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -71.93 -42.5 66.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.542 HD22 HD11 ' B' ' 48' ' ' LEU . 7.5 mt -68.42 -34.7 76.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.761 ' HA ' HD12 ' B' ' 105' ' ' ILE . 5.4 m-20 -61.33 -43.92 98.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.645 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.7 m -63.01 -33.43 75.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.787 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.853 ' HG2' HD13 ' A' ' 21' ' ' ILE . 5.8 mtp -57.86 -44.39 86.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' B' ' 102' ' ' ASP . 4.0 mt -59.28 -57.17 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.238 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -55.7 -47.57 76.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.773 HD23 HG13 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -59.03 -43.87 91.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.4 t -58.49 -31.14 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.668 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -36.54 82.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.65 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.65 ' CE ' HD23 ' B' ' 107' ' ' LEU . 5.3 mtmm -58.33 -52.47 65.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.788 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.692 ' HB3' HD12 ' B' ' 41' ' ' LEU . 0.4 OUTLIER -57.5 -35.58 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.968 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.707 ' HA ' HD12 ' B' ' 115' ' ' LEU . 5.1 mtt180 -58.5 -49.07 78.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -64.88 -42.27 94.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.88 HD13 HG22 ' A' ' 11' ' ' VAL . 8.6 mt -65.37 -31.75 73.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' B' ' 112' ' ' ARG . 10.1 mt -63.68 -37.95 89.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -127.93 106.9 9.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.68 141.62 53.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 -31.44 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -102.55 153.98 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 11.7 tp -130.15 124.05 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.31 81.53 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.817 0.341 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -101.71 99.58 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.798 HD22 HG22 ' A' ' 97' ' ' THR . 1.2 tt -73.84 78.14 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.627 ' HA ' HG21 ' A' ' 8' ' ' VAL . 3.9 m -166.35 30.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 4' ' ' SER . . . 175.66 -34.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.331 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 7' ' ' ARG . 3.3 pp -52.19 -38.54 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.337 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.834 ' HB2' HD12 ' A' ' 6' ' ' LEU . 2.7 mtt85 -171.88 48.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.832 ' CG1' HD22 ' A' ' 99' ' ' LEU . 18.7 t -104.8 -42.61 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -61.4 -36.95 81.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 14' ' ' VAL . 62.8 mm-40 -67.49 -49.71 62.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.747 HG13 ' CD2' ' B' ' 111' ' ' LEU . 27.1 t -66.16 -38.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.12 -39.03 84.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -69.12 -32.6 72.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 10' ' ' GLU . 29.9 t -68.26 -52.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.662 HD11 HG12 ' A' ' 11' ' ' VAL . 4.0 mt -58.2 -26.74 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.35 -36.63 68.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.697 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -71.46 -56.27 6.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.872 ' HE3' HD12 ' B' ' 107' ' ' LEU . 8.9 ptp -55.48 -28.4 54.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.408 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 3.7 tt0 -70.71 -38.25 73.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -62.98 -31.38 72.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 18' ' ' MET . 43.9 mt -64.21 -37.85 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.815 HD21 ' CE ' ' B' ' 104' ' ' MET . 4.3 mt -98.77 30.35 3.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.94 -167.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -129.56 137.74 31.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.68 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.61 40.04 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.889 2.392 . . . . 0.0 114.315 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.453 HD12 ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -153.24 -38.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.388 179.134 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.51 -9.46 12.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.994 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 62.02 59.75 1.63 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.818 0.342 . . . . 0.0 110.602 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -155.54 173.12 17.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.165 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD23 ' CG1' ' A' ' 83' ' ' VAL . 6.4 mp -56.66 -174.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.769 HD13 ' CG2' ' A' ' 42' ' ' ILE . 2.1 pt -139.29 94.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -60.35 -51.93 67.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -105.7 84.22 1.17 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.792 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.696 ' HB3' HD12 ' A' ' 31' ' ' ILE . 30.8 Cg_endo -64.1 119.06 5.99 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.56 2.173 . . . . 0.0 112.319 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 HD12 ' A' ' 73' ' ' LEU . 11.3 p -125.04 121.32 60.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.7 p -75.21 115.08 14.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.682 ' HA ' HD13 ' A' ' 73' ' ' LEU . 10.2 p -80.39 164.08 23.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.75 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -28.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.572 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.455 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 3.6 m -94.77 26.08 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.25 44.95 29.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.214 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.907 ' ND1' HD22 ' A' ' 63' ' ' LEU . 80.3 m-70 -117.85 152.39 35.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.006 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.769 ' CG2' HD13 ' A' ' 31' ' ' ILE . 16.3 mm -100.53 137.58 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.258 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CE2' HD12 ' A' ' 26' ' ' ILE . 15.7 m-85 -135.69 -179.54 5.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.65 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.669 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.8 m -97.3 26.41 4.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.971 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.38 -68.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.611 ' CD1' HD22 ' A' ' 49' ' ' LEU . 2.3 t80 -59.59 -29.03 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m -56.78 -30.48 63.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.566 ' O ' HD12 ' A' ' 52' ' ' LEU . 8.5 mmt -75.14 -35.79 61.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 46' ' ' PHE . 8.7 mp -60.16 -44.74 94.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -39.31 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.23 -30.56 70.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 48' ' ' MET . 2.7 mt -79.9 -30.7 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -89.34 -30.51 18.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -58.92 -31.25 68.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -121.54 142.7 49.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -60.05 130.09 45.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.04 -156.63 50.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -50.89 142.98 31.75 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.655 2.237 . . . . 0.0 112.33 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.48 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -59.84 -175.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -132.59 108.15 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.446 ' HA ' HD11 ' A' ' 68' ' ' ILE . 48.1 t -56.91 109.57 1.8 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.14 -15.02 20.66 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.426 2.084 . . . . 0.0 112.717 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.907 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.8 mp -79.7 -29.17 40.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.189 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 m -137.21 20.0 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.296 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? 49.95 27.46 2.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.234 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -172.42 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -123.35 101.26 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 69' ' ' THR . 5.6 mt -82.48 158.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -124.88 -176.71 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -82.4 -31.58 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -98.52 30.76 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -113.72 -33.54 5.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 37' ' ' THR . 3.8 mm? -58.66 153.18 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -141.54 89.11 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.58 101.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -168.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.5 m -131.85 75.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.591 ' CB ' HD11 ' B' ' 69' ' ' ILE . 0.4 OUTLIER -113.53 -37.15 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.765 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.766 ' CD1' HD22 ' A' ' 22' ' ' LEU . 1.7 m-85 -121.09 34.11 5.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.811 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -95.24 -59.75 1.82 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.5 ' HB2' HD11 ' B' ' 47' ' ' LEU . 14.2 mt-30 -57.58 -30.14 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' B' ' 47' ' ' LEU . 0.4 OUTLIER -68.34 -34.04 75.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 79' ' ' PHE . 36.2 t -72.72 -53.05 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.89 -46.16 90.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.788 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -60.17 -32.55 71.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.728 HD11 ' SD ' ' A' ' 18' ' ' MET . 10.2 tp -64.77 -42.44 95.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.9 tp -58.78 -36.73 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.608 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -65.38 -32.68 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.503 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.59 HD12 HD12 ' A' ' 86' ' ' LEU . 43.9 mt -73.56 -32.82 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.778 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 87' ' ' LEU . 6.3 mt -80.56 -30.35 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.011 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.63 -44.31 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' B' ' 36' ' ' HIS . . . -69.47 -37.18 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.475 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 58.9 t80 -58.91 -60.7 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -26.95 44.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -54.04 51.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.668 ' O ' HD13 ' A' ' 3' ' ' LEU . 11.7 t0 -100.55 32.98 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.798 HG22 HD22 ' A' ' 3' ' ' LEU . 30.7 p -157.56 123.96 4.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.61 11.19 53.33 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.697 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.832 HD22 ' CG1' ' A' ' 8' ' ' VAL . 3.4 mp -88.8 -25.97 21.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.933 0.397 . . . . 0.0 110.827 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 53.74 173.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.446 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -74.77 -66.55 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -175.35 156.35 2.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.3 m120 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.964 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 11.1 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.832 0.348 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.75 155.96 66.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.16 -177.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -152.1 -58.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.77 70.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.92 119.56 39.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 158.19 165.82 16.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.88 141.88 35.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.849 0.357 . . . . 0.0 111.031 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.739 ' CH2' HD21 ' A' ' 3' ' ' LEU . 18.8 m95 60.81 31.69 20.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.27 -53.33 4.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.528 ' HB2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -61.77 -31.22 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.0 m -75.64 -31.3 59.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -59.94 -46.07 90.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.76 -46.53 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.539 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -60.11 -32.98 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.531 HD12 ' HB3' ' B' ' 111' ' ' LEU . 8.2 tt -60.16 -51.5 69.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -35.02 74.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -58.96 -34.16 71.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.645 HD23 HD23 ' B' ' 48' ' ' LEU . 7.3 tt -78.15 -34.56 49.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.3 -27.94 66.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -31.74 62.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.541 ' HB3' HD11 ' A' ' 82' ' ' LEU . 3.9 mm? -81.13 -30.7 34.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.796 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.786 ' HA ' HD12 ' B' ' 57' ' ' LEU . 3.7 mm? -84.24 -21.69 31.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.87 114.84 7.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 49.9 t -59.55 156.98 12.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.73 -32.05 17.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.88 -63.34 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 61.1 m -67.28 -14.27 62.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.339 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.3 t 44.59 50.09 8.41 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.979 0.418 . . . . 0.0 111.383 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -149.61 -177.07 5.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.771 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.6 123.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.004 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' B' ' 48' ' ' LEU . 5.3 mt -58.69 141.58 52.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.31 104.32 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.499 ' N ' ' HD3' ' B' ' 60' ' ' PRO . 0.4 OUTLIER 51.12 62.15 11.88 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.471 -179.333 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.765 ' CG ' HD22 ' B' ' 57' ' ' LEU . 2.1 Cg_endo -82.76 -164.88 0.29 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.039 2.492 . . . . 0.0 112.641 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.609 HG13 HG11 ' B' ' 75' ' ' VAL . 7.7 p -156.94 158.7 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.481 ' N ' HG22 ' B' ' 61' ' ' VAL . 20.6 p -83.45 133.96 34.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.629 HD13 ' O ' ' B' ' 63' ' ' LEU . 0.8 OUTLIER -59.48 -36.3 75.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.18 -54.81 0.19 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.92 42.47 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.554 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.85 -52.49 2.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.693 0.282 . . . . 0.0 111.065 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 164.86 -29.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -64.57 141.51 58.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.407 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.591 HD11 ' CB ' ' A' ' 78' ' ' ARG . 6.4 mt -151.04 134.58 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.439 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' B' ' 69' ' ' ILE . 3.8 m-85 -151.54 173.38 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.943 0.402 . . . . 0.0 111.145 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.55 ' O ' HG23 ' B' ' 75' ' ' VAL . 10.0 p -65.57 159.8 23.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.734 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -50.96 -26.13 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.379 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.27 17.65 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.418 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 25.0 m -145.07 19.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.245 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.619 ' O ' HG12 ' B' ' 75' ' ' VAL . 21.2 t -134.66 32.49 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.166 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 34.3 t -122.45 -35.99 3.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.216 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -57.88 118.41 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 111.115 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 3.2 m 61.76 30.48 18.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.577 HD11 HD21 ' B' ' 63' ' ' LEU . 28.9 mm -108.54 158.74 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.989 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' GLY . . . . . 0.499 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 101.14 -26.41 24.72 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.953 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -105.53 -28.25 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 0.0 110.609 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.75 139.01 3.76 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.469 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.47 134.97 93.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.572 0.225 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.52 -22.05 6.97 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.669 2.246 . . . . 0.0 112.627 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.89 -67.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.293 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 13.8 m -71.38 -15.0 62.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.228 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 63.19 27.19 15.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.808 0.337 . . . . 0.0 110.752 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 87.8 m -102.95 123.17 43.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.33 142.92 45.52 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.465 2.11 . . . . 0.0 112.281 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.71 80.57 8.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -23.89 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.306 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.462 HG21 ' SG ' ' B' ' 62' ' ' CYS . 0.6 OUTLIER -59.32 -45.43 93.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.307 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.15 -63.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.03 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.81 172.54 10.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' B' ' 95' ' ' LEU . 7.6 tp -102.04 72.84 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.428 ' HZ3' HG22 ' B' ' 92' ' ' ILE . 1.0 OUTLIER -77.13 -173.65 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.733 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.413 HG23 ' O ' ' B' ' 60' ' ' PRO . 17.8 mm -133.74 147.68 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 111.251 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -92.63 85.18 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.572 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -51.38 -28.84 13.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.357 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.498 ' O ' HG21 ' A' ' 21' ' ' ILE . 5.1 mm-40 -70.06 -41.87 73.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.689 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' B' ' 101' ' ' LEU . 11.6 mt -72.67 -34.23 67.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.603 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.818 ' HA ' HD12 ' B' ' 105' ' ' ILE . 4.7 m-20 -59.63 -59.39 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.766 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -29.59 67.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.815 ' CE ' HD21 ' A' ' 22' ' ' LEU . 28.4 tpp -64.46 -44.0 92.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' B' ' 102' ' ' ASP . 4.8 mt -56.59 -54.44 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -29.98 69.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.669 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.872 HD12 ' HE3' ' A' ' 18' ' ' MET . 0.4 OUTLIER -60.99 -50.66 72.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -35.5 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 41.5 m -59.94 -33.71 72.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.673 ' HE2' HD13 ' B' ' 107' ' ' LEU . 0.9 OUTLIER -67.34 -46.06 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.747 ' CD2' HG13 ' A' ' 11' ' ' VAL . 12.7 mt -59.88 -39.11 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.421 ' HD2' ' CD2' ' B' ' 116' ' ' HIS . 0.1 OUTLIER -64.95 -47.73 76.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -58.74 -31.37 68.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 11' ' ' VAL . 10.9 mt -76.55 -30.48 57.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.598 HD23 ' HB3' ' B' ' 34' ' ' TRP . 56.0 mt -59.96 -67.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' HIS . . . . . 0.421 ' CD2' ' HD2' ' B' ' 112' ' ' ARG . 16.3 p80 -76.23 91.26 3.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.217 0.532 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -99.51 145.31 27.62 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 28.8 t30 60.35 78.89 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -140.69 133.2 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 50.1 tp -166.92 -48.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 -66.83 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.811 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ttp . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.796 0.331 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.524 ' OD1' HD21 ' A' ' 99' ' ' LEU . 0.9 OUTLIER 62.49 148.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.946 HD23 ' HB1' ' B' ' 33' ' ' ALA . 10.9 mp -82.94 59.21 4.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m 66.6 11.52 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.504 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.42 23.71 3.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.588 0.232 . . . . 0.0 111.534 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -71.18 -29.99 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.998 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 11' ' ' VAL . 5.5 ptp180 -173.81 35.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.034 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.59 HG11 HD11 ' A' ' 99' ' ' LEU . 22.8 t -74.5 -51.69 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -60.17 -30.6 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.62 ' HB3' HD21 ' B' ' 114' ' ' LEU . 62.8 mm-40 -63.82 -60.71 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.794 HG13 ' CD2' ' B' ' 111' ' ' LEU . 21.5 t -58.27 -38.89 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.509 ' HA ' HD12 ' A' ' 15' ' ' ILE . 33.7 tt0 -59.45 -39.12 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.89 -31.12 68.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.57 HG13 ' HE3' ' B' ' 110' ' ' LYS . 21.6 t -71.76 -49.11 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.618 HD11 HG12 ' A' ' 11' ' ' VAL . 5.5 mt -55.86 -33.23 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -63.23 -54.5 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.506 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 21' ' ' ILE . . . -59.67 -33.7 71.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.956 ' HE2' HD12 ' B' ' 107' ' ' LEU . 8.1 tpp -61.06 -34.64 75.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.568 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.03 -30.47 66.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.717 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -57.15 -38.3 73.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.859 HG21 ' CG ' ' B' ' 104' ' ' MET . 4.9 mp -68.24 -37.97 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.658 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.802 HD12 HG22 ' A' ' 83' ' ' VAL . 3.8 mm? -98.68 31.47 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.69 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -95.87 -167.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.452 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 13.9 t -113.15 138.65 22.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.854 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -93.48 14.67 1.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.975 2.45 . . . . 0.0 114.191 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 27' ' ' CYS . 2.4 pp -141.66 -41.32 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.488 ' HB3' HD12 ' A' ' 26' ' ' ILE . 27.7 p -123.53 4.91 8.97 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.68 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.6 mm? 54.27 29.83 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.741 -0.208 . . . . 0.0 111.412 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 73.0 mm-40 -101.13 118.84 37.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.581 0.229 . . . . 0.0 110.732 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.648 ' CD2' HD11 ' A' ' 87' ' ' LEU . 14.6 tp -39.96 99.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.943 0.401 . . . . 0.0 111.299 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.853 HG22 ' SG ' ' A' ' 44' ' ' CYS . 18.5 pt -52.17 129.54 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.539 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -104.48 -35.7 7.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.627 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.2 mt-10 -114.41 81.04 6.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.516 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' CA ' ' A' ' 80' ' ' SER . 77.0 Cg_exo -47.94 114.7 1.19 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.619 2.213 . . . . 0.0 112.701 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.713 HG21 ' CA ' ' A' ' 45' ' ' LYS . 43.7 t -117.24 121.93 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 14.1 p -86.34 119.99 27.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.481 HG21 ' CE ' ' A' ' 48' ' ' MET . 3.2 p -88.27 154.06 20.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.679 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -52.6 -22.93 5.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.714 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.8 m -90.9 22.85 3.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.63 0.252 . . . . 0.0 111.413 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.54 62.8 2.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 111.285 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.88 ' ND1' HD22 ' A' ' 63' ' ' LEU . 93.3 m-70 -140.29 -175.77 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 41' ' ' HIS . 22.6 mm -133.1 141.82 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CD1' ' HE3' ' A' ' 48' ' ' MET . 33.0 m-85 -144.8 -177.82 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.853 ' SG ' HG22 ' A' ' 31' ' ' ILE . 4.3 m -99.63 25.76 6.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.713 ' CA ' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 68.97 -66.77 0.24 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.18 -29.3 65.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.454 ' SG ' HD11 ' A' ' 26' ' ' ILE . 84.5 m -57.88 -43.54 86.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.688 ' CE ' HD13 ' A' ' 68' ' ' ILE . 4.8 mmt -63.95 -33.07 74.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.58 -47.37 78.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -70.5 -34.53 72.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' ' 59' ' ' SER . 9.0 tp -63.3 -31.22 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 48' ' ' MET . 4.0 mt -78.97 -30.86 44.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -89.88 -21.47 22.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.169 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -67.88 0.22 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -98.72 24.62 7.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp 60.23 156.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.99 -156.64 12.99 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.586 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.77 151.99 14.13 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.557 2.171 . . . . 0.0 112.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.802 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -80.83 174.82 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' HD21 ' A' ' 51' ' ' LEU . 4.2 tt0 -128.93 113.75 15.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.4 t -59.34 110.22 2.54 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.45 -13.79 27.77 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.441 2.094 . . . . 0.0 112.755 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.88 HD22 ' ND1' ' A' ' 41' ' ' HIS . 6.7 mp -74.6 -32.84 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.156 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.0 p -142.47 24.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.198 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 50.77 30.93 5.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.379 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -79.32 -169.27 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.27 104.75 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.688 HD13 ' CE ' ' A' ' 48' ' ' MET . 9.2 mt -88.74 158.46 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.483 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -133.78 -176.92 4.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.4 167.87 11.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.02 29.91 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -124.66 -40.7 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.62 HD12 HG12 ' A' ' 35' ' ' VAL . 3.6 mm? -57.38 148.78 22.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -149.76 118.12 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.95 145.33 41.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.6 t -149.4 150.16 31.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 77' ' ' THR . 52.3 m -94.49 -0.64 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.258 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.787 ' CG ' HD11 ' B' ' 69' ' ' ILE . 6.2 ttm180 -51.61 -60.1 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.727 0.299 . . . . 0.0 111.183 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.534 ' HE1' HD22 ' B' ' 101' ' ' LEU . 0.1 OUTLIER -98.0 37.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.819 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.412 ' CA ' ' HG2' ' A' ' 34' ' ' PRO . 10.9 t -100.93 -63.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.638 ' HB2' HD21 ' B' ' 47' ' ' LEU . 32.6 mt-30 -56.53 -31.77 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.771 ' HG ' HD22 ' B' ' 47' ' ' LEU . 2.4 mt -63.68 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.802 HG22 HD12 ' A' ' 22' ' ' LEU . 22.6 t -80.85 -43.55 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.029 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.31 -44.39 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.26 -44.87 88.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.675 ' HA ' HD12 ' A' ' 89' ' ' ILE . 17.6 tp -57.44 -48.06 80.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.648 HD11 ' CD2' ' A' ' 30' ' ' LEU . 30.6 mt -53.75 -30.38 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -76.01 -31.74 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.725 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 86' ' ' LEU . 47.5 mt -66.25 -36.86 78.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.1 mt -72.28 -34.93 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.072 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.06 -49.94 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.639 ' HB1' ' CG ' ' B' ' 36' ' ' HIS . . . -59.75 -36.47 76.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.591 ' CZ ' HG21 ' A' ' 97' ' ' THR . 40.4 t80 -57.36 -50.49 72.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -66.19 -28.02 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -58.16 -39.58 79.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.486 ' HB3' HD11 ' A' ' 3' ' ' LEU . 4.9 m-20 -102.47 -59.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.687 HG22 HD13 ' A' ' 3' ' ' LEU . 12.6 p -59.17 -48.99 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.83 28.27 57.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.544 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 8' ' ' VAL . 9.8 mt -105.14 156.11 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -63.12 -174.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.461 ' CG ' HG21 ' A' ' 90' ' ' ILE . 15.7 t80 -131.66 -67.75 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.62 32.09 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.097 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.874 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 4.2 mmm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.84 0.352 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -151.01 85.46 5.1 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.19 -178.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.603 2.202 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -136.32 161.78 34.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.53 -67.54 1.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.52 120.05 20.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.56 71.61 2.76 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.558 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.946 ' HB1' HD23 ' A' ' 3' ' ' LEU . . . -100.17 168.18 9.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.578 ' CH2' HD22 ' A' ' 3' ' ' LEU . 21.2 m95 60.71 37.42 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.82 -51.93 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.639 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -59.79 -31.47 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.4 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 58.4 m -75.31 -31.43 60.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.608 ' HA ' HD13 ' B' ' 115' ' ' LEU . 13.3 ttp85 -60.26 -47.53 85.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.17 88.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.621 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -70.75 -37.04 73.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.754 HD22 HD12 ' B' ' 115' ' ' LEU . 46.3 tp -59.13 -45.96 89.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.7 -33.81 76.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -60.86 -32.52 71.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.437 ' O ' HD23 ' B' ' 48' ' ' LEU . 7.4 tt -74.68 -34.38 62.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.32 -24.4 66.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -54.3 -29.57 47.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.771 HD22 ' HG ' ' A' ' 82' ' ' LEU . 5.0 mp -92.8 -27.09 17.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.853 HD12 HD13 ' B' ' 105' ' ' ILE . 4.0 mm? -80.94 -31.25 35.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -56.92 127.63 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 0.713 ' HB2' HD23 ' B' ' 57' ' ' LEU . 38.2 t -59.94 151.54 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.449 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -76.82 -29.39 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -57.74 2.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.409 ' O ' ' CG2' ' B' ' 54' ' ' THR . 23.7 m -65.43 -15.94 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.337 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 10.2 t 44.75 52.07 8.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.953 0.406 . . . . 0.0 111.349 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -170.42 -175.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.778 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 38.2 mm -60.1 136.26 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.888 HD12 HD11 ' B' ' 105' ' ' ILE . 0.2 OUTLIER -115.84 161.11 19.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -132.06 114.13 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.682 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 1.2 tt0 60.47 53.76 3.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.703 ' HG3' HD13 ' B' ' 57' ' ' LEU . 53.6 Cg_endo -69.4 -168.19 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.633 2.222 . . . . 0.0 112.503 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.679 HG13 ' O ' ' B' ' 96' ' ' LYS . 15.2 t -135.0 141.73 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 22.2 p -84.26 122.32 28.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.435 HD22 ' CG2' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -59.98 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.55 -53.72 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.11 42.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 p -124.14 28.85 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 65.36 14.47 9.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.536 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.68 119.0 38.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.787 HD11 ' CG ' ' A' ' 78' ' ' ARG . 1.9 mp -128.95 144.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -149.54 170.52 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.733 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 11.1 m -65.62 -175.56 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.49 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.8 OUTLIER -96.4 23.72 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -149.06 20.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.185 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 5.0 m -134.0 -46.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 1.041 HG22 HD11 ' B' ' 79' ' ' ILE . 11.3 p -57.81 -28.36 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.279 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 29.2 t -63.49 80.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -150.97 -46.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 4.8 p -130.08 37.26 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 1.041 HD11 HG22 ' B' ' 75' ' ' VAL . 24.9 mm -77.83 141.46 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.24 -27.2 17.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.433 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.6 t -101.33 -31.19 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.99 140.3 7.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -55.29 115.81 10.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.558 0.218 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.1 -6.72 19.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.425 2.083 . . . . 0.0 112.565 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 23.1 t -98.69 -25.4 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 9.6 m -106.59 -24.38 12.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 65.87 42.73 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 78.8 m -133.33 142.14 43.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.03 145.91 39.85 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.513 2.142 . . . . 0.0 112.279 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.23 -27.25 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' TRP . . . . . 0.543 ' O ' HG23 ' B' ' 92' ' ' ILE . 0.3 OUTLIER 58.59 19.93 7.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.304 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.543 HG23 ' O ' ' B' ' 91' ' ' TRP . 1.7 pt -158.93 127.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -91.22 -33.21 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.72 172.98 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.87 83.73 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.679 ' O ' HG13 ' B' ' 61' ' ' VAL . 0.6 OUTLIER -63.04 -178.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.462 HG22 ' N ' ' B' ' 98' ' ' ASN . 26.6 mm -128.99 157.01 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ASN . . . . . 0.462 ' N ' HG22 ' B' ' 97' ' ' ILE . 0.2 OUTLIER -107.26 94.11 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.796 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -69.55 -58.85 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -59.49 -46.05 89.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.763 ' CD1' HD13 ' B' ' 48' ' ' LEU . 0.2 OUTLIER -57.81 -49.12 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.811 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -62.5 -42.95 99.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.3 m -56.18 -32.16 64.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.696 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.859 ' CG ' HG21 ' A' ' 21' ' ' ILE . 11.3 mtp -74.2 -28.88 61.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.699 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.888 HD11 HD12 ' B' ' 57' ' ' LEU . 35.0 mm -59.01 -60.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -61.17 -37.1 81.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.956 HD12 ' HE2' ' A' ' 18' ' ' MET . 0.2 OUTLIER -58.79 -56.68 19.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 50.0 t -56.93 -30.92 64.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -59.3 -38.5 80.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.651 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.798 ' HE2' HD13 ' B' ' 107' ' ' LEU . 0.3 OUTLIER -65.43 -48.48 72.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.742 179.793 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.794 ' CD2' HG13 ' A' ' 11' ' ' VAL . 12.2 mt -59.68 -39.38 84.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -57.27 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -59.97 -31.26 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 10' ' ' GLU . 20.6 mt -71.65 -56.66 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.754 HD12 HD22 ' B' ' 41' ' ' LEU . 68.3 mt -60.03 -32.79 71.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -85.11 -74.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -174.93 137.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -143.34 115.11 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -131.99 103.29 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.3 tp -131.62 35.46 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 15.6 p -130.26 127.65 39.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.871 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 ttp . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.805 0.336 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -106.31 32.49 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.47 -169.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.491 ' HB2' HD23 ' A' ' 6' ' ' LEU . 9.7 m -64.08 -23.31 67.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.571 ' HA ' HG23 ' A' ' 8' ' ' VAL . . . 63.65 19.92 11.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.299 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.723 HD12 ' HB2' ' A' ' 7' ' ' ARG . 3.6 pp -71.64 -35.01 70.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.792 ' O ' HG23 ' A' ' 11' ' ' VAL . 14.2 mtt180 -164.81 48.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' A' ' 5' ' ' ALA . 22.6 t -75.58 -31.12 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.24 -36.1 63.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -67.76 -42.92 81.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 7' ' ' ARG . 28.1 t -63.67 -40.8 90.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' HG3' ' CE2' ' A' ' 93' ' ' PHE . 18.9 mt-30 -61.26 -31.55 71.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.01 -41.02 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.597 HG22 ' HE3' ' B' ' 110' ' ' LYS . 21.7 t -69.98 -41.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.679 HD11 HG12 ' A' ' 11' ' ' VAL . 13.8 mt -69.58 -32.55 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -75.89 -33.27 59.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.966 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -67.87 -53.26 28.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.682 ' HA ' HD12 ' A' ' 21' ' ' ILE . 12.1 ptp -56.58 -36.5 69.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.23 -38.57 87.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.745 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -60.57 -31.74 70.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.68 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 18' ' ' MET . 38.3 mt -65.25 -27.42 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.679 ' HB3' HG22 ' A' ' 83' ' ' VAL . 3.7 mm? -105.42 32.49 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.692 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -90.53 -170.0 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 15.2 t -113.02 138.44 22.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.821 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 24' ' ' CYS . 61.7 Cg_endo -93.45 15.14 1.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 123.018 2.479 . . . . 0.0 114.142 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.44 HG21 ' HE2' ' A' ' 43' ' ' PHE . 2.1 pp -141.02 -39.19 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.428 ' HB3' HD12 ' A' ' 26' ' ' ILE . 24.4 p -128.31 8.03 5.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.603 0.24 . . . . 0.0 111.64 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 52.57 28.25 5.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.646 0.26 . . . . 0.0 111.383 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 93.3 mt-10 -97.28 115.33 27.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.712 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.564 ' CD2' HD21 ' A' ' 87' ' ' LEU . 11.0 tp -38.5 98.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.05 0.453 . . . . 0.0 111.315 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.857 HG22 ' SG ' ' A' ' 44' ' ' CYS . 31.0 pt -50.75 136.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.585 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -113.06 -31.83 6.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -114.46 86.78 12.84 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HG2' ' N ' ' A' ' 80' ' ' SER . 52.8 Cg_exo -52.27 115.88 2.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.614 2.209 . . . . 0.0 112.39 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.664 HG21 ' HE3' ' A' ' 45' ' ' LYS . 13.7 p -129.53 119.2 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 p -78.02 126.16 30.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.756 HG22 HD23 ' A' ' 73' ' ' LEU . 8.2 p -92.31 162.69 14.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.488 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -48.53 -27.08 2.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.401 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 t -94.52 24.45 4.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 55.04 47.24 22.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.282 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.944 ' ND1' HD22 ' A' ' 63' ' ' LEU . 44.6 m-70 -124.98 153.69 42.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.9 mm -96.5 149.47 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.364 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' CD1' HG21 ' A' ' 37' ' ' THR . 15.6 m-85 -146.53 -177.26 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.683 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.857 ' SG ' HG22 ' A' ' 31' ' ' ILE . 4.5 m -99.85 20.44 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HE3' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 68.73 -66.35 0.24 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.828 0.347 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -27.68 63.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.1 m -55.35 -40.07 70.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.587 ' O ' HD12 ' A' ' 52' ' ' LEU . 9.6 mmt -66.14 -40.04 90.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 49' ' ' LEU . 8.4 mp -58.98 -43.62 91.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -85.04 -30.69 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' A' ' 59' ' ' SER . 8.2 tt -73.19 -38.47 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -57.26 -30.47 64.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.709 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' LYS . 36.6 m-20 -88.97 -75.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.647 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.04 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' ASN . 6.6 mttt -177.03 -39.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.849 0.357 . . . . 0.0 110.795 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -165.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.92 -152.67 1.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.715 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.465 ' HB3' HG22 ' A' ' 69' ' ' THR . 99.5 Cg_exo -43.4 151.26 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.021 2.481 . . . . 0.0 112.758 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.762 ' HB3' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -75.68 157.86 33.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -143.94 138.64 28.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -55.43 108.81 1.29 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.76 -4.77 15.97 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.436 2.09 . . . . 0.0 112.715 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.944 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.3 mp -85.24 -28.76 25.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.226 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.0 m -132.67 -82.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 pttp 170.49 41.55 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -96.27 -174.96 3.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -130.94 104.98 7.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.539 HD13 ' CE ' ' A' ' 48' ' ' MET . 2.9 mt -99.88 135.71 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.726 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.546 ' HA ' HD21 ' A' ' 52' ' ' LEU . 16.7 p -152.17 62.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.091 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt 60.46 155.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 53.52 25.25 4.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.2 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -115.09 -32.5 5.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.756 HD23 HG22 ' A' ' 37' ' ' THR . 4.1 mp -84.42 171.16 12.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.17 89.63 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.784 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 132.11 51.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.24 -175.9 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.4 m -115.96 77.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.447 ' CD ' HD11 ' B' ' 69' ' ' ILE . 16.6 ttp180 -118.83 -54.81 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.618 ' HA ' HD12 ' A' ' 82' ' ' LEU . 2.6 m-85 -99.04 32.11 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.797 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 34' ' ' PRO . 10.1 t -88.79 -61.51 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.563 ' HB2' HD11 ' B' ' 47' ' ' LEU . 44.6 mm-40 -59.62 -35.07 73.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 79' ' ' PHE . 54.4 mt -57.79 -35.03 70.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 22' ' ' LEU . 22.1 t -78.25 -54.8 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.66 -42.99 98.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -57.84 -44.57 86.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.738 HD12 HD11 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -53.46 -41.3 66.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' A' ' 30' ' ' LEU . 4.0 mm? -61.07 -35.68 77.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -69.8 -37.85 76.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.878 HG12 ' HB1' ' B' ' 40' ' ' ALA . 23.0 mt -70.16 -42.99 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.738 HD11 HD12 ' A' ' 86' ' ' LEU . 15.0 mt -68.77 -30.72 48.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.997 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.0 m -69.01 -36.86 78.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.85 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -66.42 -37.66 85.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 4.0 t80 -59.69 -55.95 27.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -59.8 -28.96 67.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.76 -41.66 87.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.996 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -100.35 -68.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.781 ' HB ' HD23 ' A' ' 99' ' ' LEU . 10.3 p -60.31 -45.72 92.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.71 29.57 75.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.559 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.781 HD23 ' HB ' ' A' ' 97' ' ' THR . 4.2 mm? -84.28 -178.57 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.55 140.98 29.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.541 ' CD2' HG23 ' A' ' 90' ' ' ILE . 15.8 t80 -131.64 -63.68 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.48 -58.97 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 p30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.971 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.415 ' CB ' ' CD ' ' B' ' 28' ' ' PRO . 0.9 OUTLIER -178.21 -61.67 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' B' ' 27' ' ' GLU . 58.0 Cg_endo -71.45 126.77 12.52 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.444 2.096 . . . . 0.0 112.351 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -106.39 -37.19 6.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.07 -106.41 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.764 ' NH1' ' HB2' ' B' ' 35' ' ' ALA . 6.0 tmm_? -130.88 136.91 49.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.7 29.21 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.36 166.19 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.668 ' HB3' HD23 ' B' ' 115' ' ' LEU . 10.9 m95 61.32 30.21 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.764 ' HB2' ' NH1' ' B' ' 31' ' ' ARG . . . -79.16 -56.47 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.85 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.45 -30.68 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.446 ' OG ' HD21 ' B' ' 115' ' ' LEU . 41.3 t -67.53 -36.53 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.451 ' NH2' HD23 ' B' ' 41' ' ' LEU . 6.8 tpm_? -60.2 -58.04 10.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.23 68.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.878 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -68.7 -38.64 80.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.451 HD23 ' NH2' ' B' ' 38' ' ' ARG . 11.9 tp -59.26 -43.61 92.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.72 -39.94 90.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -59.56 -53.05 62.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.757 ' O ' HD23 ' B' ' 44' ' ' LEU . 4.4 tt -59.05 -36.58 75.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.47 -28.21 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -56.95 -31.19 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 81' ' ' GLN . 4.0 mm? -79.89 -30.28 40.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.518 HD12 ' CG1' ' B' ' 105' ' ' ILE . 3.4 mm? -87.44 -22.82 24.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 114.74 1.6 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 0.738 ' HB2' HD23 ' B' ' 57' ' ' LEU . 45.0 t -59.96 156.75 13.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.441 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.4 OUTLIER -82.64 -34.47 27.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -57.41 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.402 ' O ' ' CG2' ' B' ' 54' ' ' THR . 66.9 m -65.27 -15.55 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.277 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.2 t 44.68 41.41 4.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.914 0.388 . . . . 0.0 111.332 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -163.33 -173.94 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -62.16 128.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.751 HD13 ' CG ' ' B' ' 60' ' ' PRO . 0.3 OUTLIER -107.26 168.67 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.35 105.12 8.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.432 ' N ' ' HD3' ' B' ' 60' ' ' PRO . 9.9 tt0 56.89 63.63 5.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.003 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.751 ' CG ' HD13 ' B' ' 57' ' ' LEU . 26.6 Cg_exo -62.53 -161.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.585 2.19 . . . . 0.0 112.29 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.826 HG13 ' O ' ' B' ' 96' ' ' LYS . 36.5 t -149.65 137.39 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 75.3 m -61.46 161.32 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.799 HD23 ' CE1' ' B' ' 70' ' ' PHE . 0.3 OUTLIER -94.18 -65.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.28 -67.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -155.03 32.99 0.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.38 -146.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -117.9 -27.39 6.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.637 0.256 . . . . 0.0 111.308 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.431 ' CE1' HG11 ' B' ' 85' ' ' VAL . 32.7 m80 -56.05 127.0 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.376 . . . . 0.0 111.174 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.447 HD11 ' CD ' ' A' ' 78' ' ' ARG . 1.3 mp -127.7 155.05 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.799 ' CE1' HD23 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -147.44 166.5 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 15.1 m -60.98 159.92 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -55.66 -26.08 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -112.73 22.52 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.3 m -124.49 -44.41 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.768 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 1.061 HG22 HD11 ' B' ' 79' ' ' ILE . 12.0 p -58.37 -30.82 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.5 p -63.12 80.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.67 -61.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 11.1 m -126.51 39.98 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.765 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 1.061 HD11 HG22 ' B' ' 75' ' ' VAL . 24.4 mm -74.25 -26.69 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.98 -27.3 50.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.9 m -115.7 -66.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLY . . . . . 0.514 ' HA2' ' HB2' ' B' ' 90' ' ' ALA . . . 178.69 -128.98 1.32 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.372 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.4 t -115.96 134.75 22.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.63 0.253 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.36 -21.02 9.28 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.592 2.195 . . . . 0.0 112.644 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' B' ' 68' ' ' HIS . 21.5 t -87.3 -68.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.332 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 55.5 m -71.23 -13.45 61.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.299 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 62.41 28.27 16.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.776 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -93.54 138.97 22.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.7 143.4 67.73 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.463 2.109 . . . . 0.0 112.224 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.514 ' HB2' ' HA2' ' B' ' 82' ' ' GLY . . . -65.77 85.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -59.17 -23.87 62.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.571 HD12 ' O ' ' B' ' 94' ' ' ASP . 1.4 pt -104.43 107.3 22.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.98 -31.5 68.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.571 ' O ' HD12 ' B' ' 92' ' ' ILE . 3.5 m-20 -115.11 -176.21 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.807 ' HB3' HG11 ' B' ' 61' ' ' VAL . 52.9 mt -97.97 89.89 4.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.826 ' O ' HG13 ' B' ' 61' ' ' VAL . 5.7 mtpp -77.14 137.59 38.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.642 HD13 HG22 ' B' ' 61' ' ' VAL . 28.3 mm -86.8 141.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.221 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -96.67 94.7 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -58.46 -30.49 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -75.87 -55.58 5.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' B' ' 101' ' ' LEU . 12.2 tp -60.53 -33.51 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.731 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' B' ' 105' ' ' ILE . 23.9 t0 -63.39 -53.48 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.636 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.9 m -61.61 -30.59 70.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.691 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.624 ' SD ' HD21 ' A' ' 22' ' ' LEU . 1.4 mtp -59.4 -38.6 80.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.691 HG21 ' O ' ' B' ' 57' ' ' LEU . 6.9 mt -66.46 -50.84 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -60.28 -31.74 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.966 HD11 ' HB3' ' A' ' 17' ' ' ALA . 1.3 mm? -63.78 -53.13 55.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.674 ' SG ' HD22 ' B' ' 44' ' ' LEU . 32.8 m -59.52 -31.36 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 32.5 t -63.97 -35.17 79.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.774 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.597 ' HE3' HG22 ' A' ' 14' ' ' VAL . 50.3 mtmt -64.72 -46.82 80.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' B' ' 114' ' ' LEU . 14.0 mt -59.0 -35.72 73.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -60.03 -41.82 93.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -69.58 -42.11 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' B' ' 111' ' ' LEU . 4.8 mt -66.1 -41.29 90.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' B' ' 34' ' ' TRP . 6.5 mt -62.11 -31.22 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -134.64 110.53 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -128.64 171.27 12.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -107.03 -170.07 1.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -129.21 33.48 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.34 156.09 20.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 1.4 t -157.89 128.19 6.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.922 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.777 0.323 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -103.01 36.54 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.602 ' HA ' HD21 ' A' ' 6' ' ' LEU . 65.0 tp -60.59 86.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 t -175.87 37.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.67 -40.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.602 HD21 ' HA ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -67.78 74.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HD3' HD23 ' B' ' 114' ' ' LEU . 10.3 ttm-85 59.87 76.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.524 HG12 ' HZ ' ' A' ' 93' ' ' PHE . 21.6 t -122.12 -42.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -64.76 -31.39 72.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.79 -48.26 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.774 HG12 HD11 ' A' ' 15' ' ' ILE . 21.6 t -59.74 -32.53 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -47.95 83.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.51 -31.74 70.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.555 HG11 ' HG ' ' B' ' 111' ' ' LEU . 31.1 t -70.79 -58.42 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.774 HD11 HG12 ' A' ' 11' ' ' VAL . 5.1 mt -58.61 -31.45 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -71.55 -48.56 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.842 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -60.24 -33.83 72.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.8 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.765 ' HB3' HD21 ' A' ' 86' ' ' LEU . 6.4 ttm -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.778 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.91 -40.33 88.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.77 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -59.72 -32.63 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 18' ' ' MET . 38.7 mt -67.53 -31.99 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.833 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.875 ' HB3' HG22 ' A' ' 83' ' ' VAL . 3.2 mm? -107.41 30.24 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.578 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.09 -166.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.047 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 14.2 t -112.92 138.69 22.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.942 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 24' ' ' CYS . 63.0 Cg_endo -93.3 16.15 1.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.882 2.388 . . . . 0.0 114.076 -178.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.491 HG21 ' HE2' ' A' ' 43' ' ' PHE . 2.1 pp -142.98 -39.26 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.425 ' HB3' HD12 ' A' ' 26' ' ' ILE . 24.3 p -128.21 9.05 6.14 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 51.08 29.05 4.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.652 0.263 . . . . 0.0 111.391 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 26.9 mm-40 -96.19 118.62 33.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.818 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.563 ' CD2' HD21 ' A' ' 87' ' ' LEU . 11.9 tp -39.14 98.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.004 0.43 . . . . 0.0 111.303 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.839 HG22 ' SG ' ' A' ' 44' ' ' CYS . 1.2 pp -51.93 113.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.825 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -89.35 -43.42 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -101.62 90.87 1.96 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.528 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HG3' ' CA ' ' A' ' 80' ' ' SER . 27.8 Cg_endo -62.6 113.05 1.79 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.533 2.155 . . . . 0.0 112.564 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 36' ' ' SER . 11.2 p -127.47 159.02 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.64 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.479 ' N ' HG22 ' A' ' 35' ' ' VAL . 15.6 p -110.39 127.78 55.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.093 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.559 HG21 ' CD1' ' A' ' 43' ' ' PHE . 19.7 p -92.31 158.09 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HZ3' ' HG2' ' A' ' 38' ' ' LYS . 8.6 tptm -52.42 -23.12 5.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.654 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.2 t -91.0 24.23 2.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 111.342 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 54.7 40.89 32.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.774 0.321 . . . . 0.0 111.037 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.944 ' ND1' HD22 ' A' ' 63' ' ' LEU . 45.7 m-70 -122.98 -179.71 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.2 mm -120.64 147.54 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.492 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.559 ' CD1' HG21 ' A' ' 37' ' ' THR . 28.7 m-85 -146.47 -177.45 5.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.65 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.839 ' SG ' HG22 ' A' ' 31' ' ' ILE . 6.7 m -100.05 24.87 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.043 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tpmp? 68.82 -66.23 0.25 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' HA ' HD13 ' A' ' 49' ' ' LEU . 1.5 t80 -58.75 -29.91 67.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.8 m -57.63 -33.96 68.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.686 ' SD ' HD11 ' A' ' 73' ' ' LEU . 5.9 mmt -67.47 -39.57 85.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 46' ' ' PHE . 5.6 mp -60.49 -53.95 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HE3' ' CE2' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -60.99 -44.91 96.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.543 HD23 ' CB ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -68.73 -31.51 70.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 70' ' ' LYS . 11.3 mt -73.77 -49.34 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -62.91 -41.13 99.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -60.23 148.31 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? 61.69 153.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 106.78 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.69 -179.0 17.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.593 ' HB3' HG23 ' A' ' 69' ' ' THR . 74.6 Cg_exo -50.17 176.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.593 2.195 . . . . 0.0 112.463 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.543 ' CB ' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -88.98 158.98 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -114.31 114.26 25.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.585 ' HB2' HD11 ' A' ' 68' ' ' ILE . 53.7 t -56.16 109.28 1.56 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.02 -7.82 22.26 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.492 2.128 . . . . 0.0 112.713 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.944 HD22 ' ND1' ' A' ' 41' ' ' HIS . 2.8 mp -84.55 -28.46 26.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.697 0.284 . . . . 0.0 111.212 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.8 m -145.87 25.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt 50.38 27.31 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.222 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -167.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -135.72 108.02 7.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 61' ' ' CYS . 1.9 mp -95.61 157.87 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -136.46 145.61 45.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.682 ' HB3' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.76 83.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -179.84 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.539 ' C ' HD22 ' A' ' 73' ' ' LEU . 1.9 m -96.3 37.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.686 HD11 ' SD ' ' A' ' 48' ' ' MET . 3.7 mm? -113.48 110.99 21.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -119.04 113.47 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -62.93 101.17 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.3 m -95.56 124.7 39.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 77' ' ' THR . 94.8 m -83.65 58.22 4.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.8 ' HB2' HD11 ' B' ' 69' ' ' ILE . 6.9 ptt-85 -112.0 -30.64 7.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 m-85 -106.82 28.66 7.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.41 ' CA ' ' HG3' ' A' ' 34' ' ' PRO . 10.0 t -89.22 -62.46 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.484 ' CB ' HD21 ' B' ' 47' ' ' LEU . 22.5 mm-40 -58.05 -31.23 66.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.789 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.68 HD21 ' CB ' ' B' ' 47' ' ' LEU . 80.2 mt -59.96 -56.49 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.875 HG22 ' HB3' ' A' ' 22' ' ' LEU . 20.3 t -59.39 -52.02 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -60.9 -35.54 76.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.65 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.42 -43.18 88.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 18' ' ' MET . 0.7 OUTLIER -57.47 -44.08 84.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.574 179.754 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 30' ' ' LEU . 3.4 mm? -57.84 -30.11 65.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -84.03 -44.2 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.9 mt -63.15 -38.36 81.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.737 HD11 HD12 ' A' ' 86' ' ' LEU . 8.2 mt -72.86 -40.51 60.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.024 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.6 -42.51 96.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.58 ' HB1' ' CG ' ' B' ' 36' ' ' HIS . . . -62.08 -39.2 91.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CE1' HG21 ' A' ' 97' ' ' THR . 65.1 t80 -59.45 -51.82 68.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.89 -30.04 69.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.988 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 92' ' ' ALA . 15.1 mt -59.16 -31.67 69.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.565 ' HB3' HD23 ' A' ' 3' ' ' LEU . 3.9 m-20 -110.13 -68.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.693 ' HB ' HD13 ' A' ' 99' ' ' LEU . 17.4 p -60.23 -40.23 89.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.18 28.16 73.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.693 HD13 ' HB ' ' A' ' 97' ' ' THR . 6.7 mp -92.86 163.27 13.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.17 166.79 9.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.41 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 29.6 t80 -124.82 -67.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -173.02 123.39 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.911 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.781 0.324 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.403 ' CB ' ' CD ' ' B' ' 28' ' ' PRO . 0.3 OUTLIER -69.39 -60.75 3.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' B' ' 27' ' ' GLU . 59.4 Cg_endo -72.25 178.13 6.43 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.524 2.149 . . . . 0.0 112.311 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -134.76 156.24 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.43 44.37 2.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 60.38 169.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.92 54.97 0.59 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -164.75 168.5 17.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.69 ' HB3' HD23 ' B' ' 115' ' ' LEU . 20.5 m95 60.57 36.19 19.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.64 -55.93 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.58 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.08 -30.82 69.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.456 ' OG ' HD21 ' B' ' 115' ' ' LEU . 32.5 t -67.73 -39.67 84.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ttm105 -62.16 -34.42 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.55 -55.41 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.8 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' B' ' 115' ' ' LEU . 40.2 tp -59.77 -56.01 27.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.62 -33.99 72.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 61.3 mtt-85 -59.21 -40.8 86.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.546 HD13 ' SD ' ' A' ' 18' ' ' MET . 7.8 tt -72.04 -31.2 65.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -62.81 -28.44 70.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.02 -30.48 59.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.05 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.68 ' CB ' HD21 ' A' ' 82' ' ' LEU . 3.3 mm? -79.98 -29.98 39.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.754 HD12 ' CD1' ' B' ' 105' ' ' ILE . 3.9 mm? -80.32 -28.45 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.8 121.11 8.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 0.823 ' HB2' HD23 ' B' ' 57' ' ' LEU . 47.0 t -65.51 156.87 31.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.42 ' HB2' ' CE2' ' B' ' 70' ' ' PHE . 1.4 m -77.5 -34.14 54.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.79 -57.48 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.416 ' O ' ' CG2' ' B' ' 54' ' ' THR . 8.6 m -60.57 -19.1 56.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.7 t 45.03 54.32 7.03 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.987 0.422 . . . . 0.0 111.392 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -177.96 -173.53 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.681 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.496 ' CG2' HG23 ' B' ' 105' ' ' ILE . 38.4 mm -58.58 143.83 12.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' B' ' 50' ' ' CYS . 0.2 OUTLIER -123.8 152.95 41.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.04 124.55 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.657 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.427 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 5.0 tt0 54.07 52.51 9.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.665 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.759 ' HG3' HD13 ' B' ' 57' ' ' LEU . 72.9 Cg_endo -75.78 -178.92 4.67 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.653 2.236 . . . . 0.0 112.603 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.791 HG13 ' O ' ' B' ' 96' ' ' LYS . 28.3 t -131.01 145.58 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.792 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 14.9 m -57.97 -97.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.743 HD21 HG23 ' B' ' 79' ' ' ILE . 0.6 OUTLIER 75.53 -53.5 0.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.91 0.386 . . . . 0.0 111.018 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.41 71.08 1.57 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.65 -36.89 40.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.307 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.93 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.524 0.202 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -157.24 23.67 0.3 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.68 0.276 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.429 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 14.5 m170 -116.63 158.94 22.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 111.104 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 78' ' ' ARG . 4.8 mt -148.11 147.95 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.806 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' B' ' 51' ' ' SER . 1.7 m-85 -143.35 175.99 9.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 11.8 m -74.33 -177.05 2.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.644 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.3 OUTLIER -72.24 -38.12 68.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.6 19.11 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.244 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.82 -51.88 4.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.988 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.797 HG23 HD11 ' B' ' 79' ' ' ILE . 27.5 m -81.83 -27.65 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.356 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 69.0 m -46.87 -28.19 1.5 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.367 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -55.34 -27.27 46.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.21 82.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.797 HD11 HG23 ' B' ' 75' ' ' VAL . 33.1 mm -76.61 -34.35 23.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.47 -24.8 25.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.39 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 75.7 m -83.36 -75.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.715 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.97 -113.54 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.399 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.8 t -108.08 134.43 20.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.553 0.216 . . . . 0.0 110.839 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -78.45 -12.24 15.51 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.55 2.166 . . . . 0.0 112.926 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.429 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 19.8 t -107.78 -67.71 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.891 0.377 . . . . 0.0 111.363 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 87.6 m -64.77 -15.33 61.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.238 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 64.86 19.79 11.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.474 HG23 ' HD2' ' B' ' 89' ' ' PRO . 90.2 m -83.61 139.66 41.03 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.739 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' B' ' 88' ' ' THR . 45.5 Cg_endo -68.48 144.89 62.85 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.457 2.104 . . . . 0.0 112.183 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.49 97.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -23.1 50.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.626 HD12 ' O ' ' B' ' 94' ' ' ASP . 2.1 pt -108.78 110.09 30.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.1 -31.71 69.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.626 ' O ' HD12 ' B' ' 92' ' ' ILE . 0.5 OUTLIER -104.84 -170.61 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.721 ' HG ' HG21 ' B' ' 61' ' ' VAL . 1.9 tp -105.8 86.22 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.791 ' O ' HG13 ' B' ' 61' ' ' VAL . 0.4 OUTLIER -71.21 171.82 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.452 HD13 ' O ' ' B' ' 96' ' ' LYS . 25.8 mm -129.95 139.09 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -93.88 83.35 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.766 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.07 -30.46 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.61 -51.94 13.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.486 HD13 ' CE1' ' A' ' 79' ' ' PHE . 8.6 tp -59.56 -34.34 72.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.99 -44.42 96.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.733 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 15.9 t -58.15 -32.8 68.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.651 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.602 ' HB2' HD11 ' B' ' 48' ' ' LEU . 6.7 mtp -67.88 -33.37 74.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.702 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.754 ' CD1' HD12 ' B' ' 48' ' ' LEU . 20.6 mm -60.17 -48.45 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.764 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -31.12 61.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.842 HD11 ' HB3' ' A' ' 17' ' ' ALA . 1.7 mm? -70.93 -51.6 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.465 ' SG ' HD22 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -59.74 -32.16 70.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 6.2 t -69.37 -31.46 69.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.52 ' HE3' HG13 ' A' ' 14' ' ' VAL . 10.0 mtpp -63.93 -46.75 83.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.555 ' HG ' HG11 ' A' ' 14' ' ' VAL . 29.6 mt -59.2 -41.96 89.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.28 -41.12 92.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -72.15 -41.82 66.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.497 ' CD1' HG21 ' A' ' 14' ' ' VAL . 21.4 mt -65.3 -33.6 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' B' ' 34' ' ' TRP . 6.0 mt -77.26 -34.42 55.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -60.26 -74.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.46 170.13 15.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -106.55 -41.43 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.94 89.69 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 10.1 tp -80.91 127.71 32.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 1.9 m -147.78 -59.21 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.885 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.834 0.35 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.61 31.36 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.607 HD23 ' CZ2' ' B' ' 34' ' ' TRP . 0.9 OUTLIER 58.14 30.67 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.658 ' HB2' HD23 ' A' ' 6' ' ' LEU . 7.6 m 61.56 17.86 8.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.243 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.58 22.29 5.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.473 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' A' ' 4' ' ' SER . 2.7 pp -82.19 106.4 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 48.76 28.98 2.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.289 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.654 HG12 HD22 ' A' ' 99' ' ' LEU . 21.6 t -82.21 -30.61 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.121 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -31.55 64.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.734 ' HB3' HD21 ' B' ' 114' ' ' LEU . 3.3 mp0 -64.27 -42.5 96.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.865 HG12 HD11 ' A' ' 15' ' ' ILE . 21.5 t -60.74 -38.4 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -59.68 -40.08 86.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.21 -40.83 91.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.603 ' O ' HD12 ' B' ' 107' ' ' LEU . 23.6 t -70.39 -41.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.865 HD11 HG12 ' A' ' 11' ' ' VAL . 10.5 mt -67.59 -31.9 54.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.86 -52.57 19.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.915 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.82 -39.19 80.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.584 ' HA ' HD12 ' A' ' 21' ' ' ILE . 11.9 ttm -58.37 -42.87 87.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.419 ' N ' HD21 ' A' ' 86' ' ' LEU . 11.2 tt0 -63.36 -36.64 84.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -60.17 -40.72 90.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 18' ' ' MET . 19.3 mt -63.52 -29.79 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.872 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.883 ' HB3' HG22 ' A' ' 83' ' ' VAL . 4.2 mt -110.44 30.39 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.592 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -92.59 -165.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.463 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 11.3 t -111.37 138.49 21.38 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -93.04 12.94 1.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.909 2.406 . . . . 0.0 114.044 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.784 HD11 ' SG ' ' A' ' 47' ' ' CYS . 2.0 pp -141.4 -53.64 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.671 ' N ' HD12 ' A' ' 26' ' ' ILE . 26.7 p -105.16 -1.66 25.2 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 57.5 33.05 22.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.473 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 14.6 mm-40 -109.66 126.38 53.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.621 0.248 . . . . 0.0 110.727 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.675 HD23 HD11 ' A' ' 87' ' ' LEU . 11.4 tp -40.05 98.03 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.027 0.441 . . . . 0.0 111.248 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.835 HG22 ' SG ' ' A' ' 44' ' ' CYS . 37.5 pt -47.8 137.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.778 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.87 -38.13 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.623 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.721 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.6 tp10 -114.09 81.25 6.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.551 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HG2' ' N ' ' A' ' 80' ' ' SER . 71.7 Cg_exo -48.14 101.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.695 2.263 . . . . 0.0 112.732 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 33' ' ' GLU . 40.9 t -105.1 120.85 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.762 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 3.4 t -89.06 108.4 19.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.12 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.453 HG22 ' HE2' ' A' ' 48' ' ' MET . 63.6 p -78.88 162.72 25.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -47.12 -28.15 1.67 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.931 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -91.43 21.21 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 111.421 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 t70 56.2 54.65 7.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.824 0.345 . . . . 0.0 111.307 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 1.168 ' CD2' HD22 ' A' ' 63' ' ' LEU . 40.9 m80 -126.8 142.15 51.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.458 HD11 ' NH2' ' A' ' 78' ' ' ARG . 38.5 mm -91.58 129.83 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.333 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -128.19 -176.62 3.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.835 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.6 m -104.17 23.78 12.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.943 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.699 ' HA ' HG21 ' A' ' 35' ' ' VAL . 6.1 tptm 69.3 -65.58 0.29 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.094 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.745 ' HA ' HD13 ' A' ' 49' ' ' LEU . 15.6 t80 -58.19 -28.69 65.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.784 ' SG ' HD11 ' A' ' 26' ' ' ILE . 57.7 m -56.92 -39.81 75.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.058 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.453 ' HE2' HG22 ' A' ' 37' ' ' THR . 39.8 mmm -67.42 -33.2 74.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 46' ' ' PHE . 3.9 mp -63.89 -53.77 45.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.709 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -66.85 -37.52 84.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.757 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 tp -60.98 -37.25 81.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 70' ' ' LYS . 18.7 mt -80.08 -31.27 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.776 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -60.41 -53.43 57.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -75.9 63.88 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.78 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 tptt 179.57 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.968 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.88 19.55 10.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.079 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.24 -163.64 13.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.518 ' HB3' HG22 ' A' ' 69' ' ' THR . 53.7 Cg_exo -52.05 130.51 35.24 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.48 2.12 . . . . 0.0 112.283 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.435 ' OG ' HD21 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -57.77 170.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.22 103.26 5.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.408 ' N ' ' HA ' ' A' ' 66' ' ' ASN . 13.1 t -47.2 108.99 0.96 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.441 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.9 -3.92 14.49 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.369 2.046 . . . . 0.0 112.407 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.168 HD22 ' CD2' ' A' ' 41' ' ' HIS . 1.8 mp -83.28 -34.81 25.68 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.089 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 p -116.74 -54.87 2.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.984 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 pttp 172.63 -35.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.031 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.408 ' HA ' ' N ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER 166.96 137.5 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.4 41.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.941 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.4 mt -144.27 153.6 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.077 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 58' ' ' PRO . 14.5 p -127.58 -178.42 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.446 ' HA ' HD13 ' A' ' 52' ' ' LEU . 15.3 mmtp -60.1 -32.2 70.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -135.91 91.51 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 m -163.56 31.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 mt -91.48 172.01 8.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -135.08 85.96 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.25 103.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.57 -175.98 4.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.721 HG23 ' OG ' ' A' ' 80' ' ' SER . 78.5 m -151.9 79.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.601 ' CB ' HD11 ' B' ' 69' ' ' ILE . 26.7 ptt180 -117.89 -43.65 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.894 ' O ' HG23 ' A' ' 83' ' ' VAL . 5.3 m-85 -86.04 -11.28 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.372 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.721 ' OG ' HG23 ' A' ' 77' ' ' THR . 0.8 OUTLIER -54.97 -51.4 66.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.831 0.348 . . . . 0.0 111.046 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.667 ' HB2' HD22 ' B' ' 47' ' ' LEU . 31.3 mt-30 -65.46 -31.42 72.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.863 HD22 ' SD ' ' B' ' 104' ' ' MET . 2.2 mt -73.98 -32.75 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 79' ' ' PHE . 40.0 t -77.01 -39.03 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -73.66 -47.74 37.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -58.11 -40.68 81.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.472 HD12 HD12 ' A' ' 89' ' ' ILE . 15.0 tp -58.5 -45.42 88.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.757 ' HA ' HD12 ' A' ' 90' ' ' ILE . 15.0 mt -55.97 -32.68 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.729 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -72.22 -34.15 68.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.706 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.787 HG12 ' HB1' ' B' ' 40' ' ' ALA . 56.2 mt -67.29 -36.6 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.7 mt -71.21 -43.13 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 89.7 m -60.11 -44.62 94.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.484 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -60.39 -34.84 74.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.65 -53.73 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.57 -29.81 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.96 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -44.78 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -95.71 -68.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.69 ' HB ' HD13 ' A' ' 99' ' ' LEU . 14.3 p -61.99 -55.87 24.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.72 27.28 32.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.545 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.69 HD13 ' HB ' ' A' ' 97' ' ' THR . 9.8 mp -87.54 162.46 17.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.17 160.5 29.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.611 ' CD2' HG21 ' A' ' 90' ' ' ILE . 29.2 t80 -131.3 164.74 24.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.33 148.88 24.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.87 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 28.7 mmm . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.793 0.33 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 60.23 87.19 0.14 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.97 -28.47 24.2 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.647 2.231 . . . . 0.0 112.252 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -164.78 -51.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.04 -28.57 2.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 60.62 158.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.824 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.38 157.52 20.71 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.92 -179.67 4.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.607 ' CZ2' HD23 ' A' ' 3' ' ' LEU . 17.7 m95 60.13 31.63 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.86 -64.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.484 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -61.31 -31.05 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.475 ' HB3' HD21 ' B' ' 115' ' ' LEU . 0.3 OUTLIER -63.58 -31.42 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.51 ' N ' HD21 ' B' ' 115' ' ' LEU . 9.2 ttt180 -72.36 -41.66 66.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.52 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.787 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -74.71 -38.15 62.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.646 HD13 HD23 ' B' ' 111' ' ' LEU . 32.2 tp -59.96 -53.13 61.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.04 -32.96 71.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -60.28 -33.54 72.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.94 -34.56 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.93 -36.53 74.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -27.02 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.667 HD22 ' HB2' ' A' ' 81' ' ' GLN . 9.3 mt -84.89 -23.57 28.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.843 HD13 HD13 ' B' ' 105' ' ' ILE . 30.3 mt -96.32 -24.96 15.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.223 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 120.75 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 111.023 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 40.8 t -57.8 156.31 8.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.424 ' HB3' ' CE2' ' B' ' 70' ' ' PHE . 9.4 t -82.78 -31.41 28.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -100.67 -60.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 70.7 m -61.14 -19.15 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.194 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 10.2 t 44.8 52.05 8.13 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.966 0.413 . . . . 0.0 111.366 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -156.17 -176.17 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.55 ' CG2' HG23 ' B' ' 105' ' ' ILE . 36.0 mm -64.54 123.94 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' B' ' 60' ' ' PRO . 12.2 mt -59.19 152.05 21.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -154.73 100.95 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.0 tt0 55.71 52.19 7.3 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.665 ' HB3' HD22 ' B' ' 57' ' ' LEU . 65.7 Cg_endo -73.89 -173.82 1.52 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.613 2.209 . . . . 0.0 112.657 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.815 HG13 ' O ' ' B' ' 96' ' ' LYS . 22.1 t -137.66 146.29 27.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.038 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.482 ' O ' HD13 ' B' ' 92' ' ' ILE . 8.4 t -85.17 114.03 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.812 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.731 HD23 HD13 ' B' ' 79' ' ' ILE . 0.4 OUTLIER -57.18 -54.8 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -108.77 0.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.538 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.6 34.48 1.7 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 2.7 p -117.02 30.28 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 65.59 14.07 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.435 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 123.34 33.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 110.798 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.601 HD11 ' CB ' ' A' ' 78' ' ' ARG . 8.4 mt -140.66 128.73 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.453 ' HB2' HG13 ' B' ' 75' ' ' VAL . 3.3 m-85 -148.25 173.6 12.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 20.8 m -59.33 -176.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.603 ' HA ' HG23 ' B' ' 61' ' ' VAL . 21.8 p -94.69 26.1 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -148.9 20.02 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.192 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 m -116.12 -64.79 1.26 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.669 HG23 HG13 ' B' ' 79' ' ' ILE . 32.7 m -61.37 -23.55 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.581 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.9 t -46.24 -25.34 0.6 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.812 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -87.81 22.84 2.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.706 0.288 . . . . 0.0 111.297 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.91 38.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.988 0.423 . . . . 0.0 110.34 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.731 HD13 HD23 ' B' ' 63' ' ' LEU . 1.5 mm -120.47 157.09 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.861 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' GLY . . . . . 0.412 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 84.72 25.77 40.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.173 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.4 m -162.2 -44.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.81 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.34 138.03 3.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.414 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.71 114.27 28.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.622 0.248 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.01 -1.25 11.43 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.445 2.097 . . . . 0.0 112.641 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.34 -28.34 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.798 0.332 . . . . 0.0 111.195 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 57.3 m -106.18 -19.24 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 67.07 49.7 1.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 73.7 m -140.1 140.04 22.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.11 162.77 3.79 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.421 2.081 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.0 84.6 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.81 -25.92 61.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.482 HD13 ' O ' ' B' ' 62' ' ' CYS . 0.9 OUTLIER -79.56 85.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -59.57 -31.36 69.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -115.79 157.24 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.598 HD12 HG21 ' B' ' 61' ' ' VAL . 4.3 mm? -67.5 75.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.815 ' O ' HG13 ' B' ' 61' ' ' VAL . 32.7 mttt -60.86 175.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.469 HD13 ' O ' ' B' ' 96' ' ' LYS . 25.0 mm -130.73 139.26 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.203 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.18 94.82 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.784 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -58.93 -30.85 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' ILE . 11.5 mm100 -72.46 -47.38 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.52 HD12 HD13 ' B' ' 57' ' ' LEU . 2.7 mm? -61.06 -46.79 89.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.644 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -60.76 -46.37 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.442 ' O ' HD23 ' B' ' 107' ' ' LEU . 6.8 t -59.92 -34.28 73.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.863 ' SD ' HD22 ' A' ' 82' ' ' LEU . 1.4 mtp -62.72 -32.4 73.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.644 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.843 HD13 HD13 ' B' ' 48' ' ' LEU . 27.2 mm -65.28 -51.42 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -64.08 -31.21 72.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.915 HD11 ' HB3' ' A' ' 17' ' ' ALA . 2.2 mm? -65.54 -51.95 56.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.513 ' SG ' HD11 ' B' ' 41' ' ' LEU . 51.9 t -61.87 -30.02 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 31.0 t -59.15 -47.01 86.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.693 ' O ' HD13 ' B' ' 114' ' ' LEU . 9.0 mtmt -59.94 -49.78 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.679 HD11 HG13 ' A' ' 11' ' ' VAL . 3.6 tp -57.6 -36.34 71.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -65.96 -45.8 80.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -70.74 -39.26 73.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.734 HD21 ' HB3' ' A' ' 10' ' ' GLU . 9.2 mp -60.09 -43.8 95.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.51 HD21 ' N ' ' B' ' 38' ' ' ARG . 2.5 mp -61.01 -38.12 84.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -60.01 -72.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 t0 60.22 35.63 20.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 60.32 -178.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -147.03 35.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 8.0 tt -171.45 140.51 1.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 73.2 p -141.83 80.11 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.146 -0.931 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.794 0.33 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -158.73 30.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.628 HD22 HG23 ' A' ' 97' ' ' THR . 0.3 OUTLIER 56.92 28.04 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.443 ' HB2' HD23 ' A' ' 6' ' ' LEU . 0.6 OUTLIER 62.55 15.66 8.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.292 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 54.18 21.33 3.0 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' B' ' 33' ' ' ALA . 1.9 pp -74.05 99.61 3.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.896 0.379 . . . . 0.0 110.285 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' GLU . 19.4 mtt180 63.7 -84.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.327 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.7 t 61.09 -73.83 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.511 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ARG . 2.7 pt-20 -46.49 -29.8 1.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.323 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.6 ' HB3' HD21 ' B' ' 114' ' ' LEU . 3.3 mp0 -65.5 -58.32 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.746 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.604 HG21 ' CZ3' ' B' ' 34' ' ' TRP . 23.8 t -58.36 -41.22 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -43.38 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -59.99 -35.95 76.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.76 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.013 HG13 HD23 ' B' ' 107' ' ' LEU . 38.0 t -66.89 -28.41 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.433 HG22 ' CE1' ' A' ' 101' ' ' TYR . 13.2 mm -72.41 -31.28 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.007 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -74.43 -50.34 18.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.755 ' HB1' HD11 ' B' ' 107' ' ' LEU . . . -58.78 -42.74 89.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.786 ' HG2' HD21 ' A' ' 86' ' ' LEU . 2.1 tpp -64.45 -43.26 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -40.64 96.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.018 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -55.96 -28.38 56.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 18' ' ' MET . 27.3 mt -67.55 -29.24 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.776 HD23 HG22 ' A' ' 83' ' ' VAL . 10.5 mp -115.25 28.2 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.65 -168.29 2.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.756 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 10.2 t -115.03 134.45 22.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -93.12 10.37 2.24 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.883 2.389 . . . . 0.0 114.114 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 27' ' ' CYS . 2.2 pp -132.47 -38.86 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.34 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.507 ' HB3' HD12 ' A' ' 26' ' ' ILE . 28.3 p -128.09 4.47 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.594 0.235 . . . . 0.0 111.633 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 53.79 31.03 12.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.515 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -102.2 120.78 41.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.836 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.725 ' CD2' HD21 ' A' ' 87' ' ' LEU . 12.1 tp -37.82 101.56 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.844 HG22 ' SG ' ' A' ' 44' ' ' CYS . 1.1 pp -53.84 108.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.904 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.61 -37.25 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.489 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.7 mt-10 -111.72 94.19 22.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.466 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 33' ' ' GLU . 23.4 Cg_endo -61.72 111.2 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.439 2.092 . . . . 0.0 112.31 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.718 HG11 HD12 ' A' ' 73' ' ' LEU . 27.0 t -117.42 123.23 71.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.993 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 p -87.79 104.07 16.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.4 p -70.38 162.55 28.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HG3' ' CH2' ' B' ' 91' ' ' TRP . 7.5 ttpt -47.45 -26.38 1.34 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.699 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.7 t -91.55 23.63 3.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.399 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.2 t70 55.11 36.78 27.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.363 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.933 ' ND1' HD22 ' A' ' 63' ' ' LEU . 37.8 m-70 -114.07 149.43 35.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.028 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mm -88.6 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.283 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -151.44 -177.28 5.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.776 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.844 ' SG ' HG22 ' A' ' 31' ' ' ILE . 6.7 m -100.7 22.95 11.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.64 ' CA ' HG21 ' A' ' 35' ' ' VAL . 4.9 tttm 68.01 -67.9 0.18 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.6 -26.7 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.442 ' SG ' HD11 ' A' ' 26' ' ' ILE . 75.7 m -54.46 -29.12 48.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.067 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.714 ' SD ' HD22 ' A' ' 73' ' ' LEU . 5.3 mmt -69.12 -38.03 78.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 49' ' ' LEU . 7.5 mp -61.95 -42.56 99.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -74.22 -33.22 63.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' A' ' 59' ' ' SER . 5.8 tp -75.31 -52.57 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.88 -31.35 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -82.22 -32.59 29.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -62.24 121.35 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm 60.13 -177.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.19 161.63 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.28 -176.86 52.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.578 ' HB3' HG22 ' A' ' 69' ' ' THR . 59.0 Cg_exo -51.64 -178.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.633 2.222 . . . . 0.0 112.3 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.536 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -82.83 -31.42 28.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 62.2 117.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.496 ' CB ' HD11 ' A' ' 68' ' ' ILE . 9.5 t -68.58 114.81 24.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.518 ' HD3' HD21 ' A' ' 51' ' ' LEU . 61.2 Cg_endo -72.65 -7.13 20.3 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.413 2.076 . . . . 0.0 112.582 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.933 HD22 ' ND1' ' A' ' 41' ' ' HIS . 5.3 mp -78.16 -30.65 49.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.062 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 11.1 p -151.36 25.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.238 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.76 34.45 21.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 61' ' ' CYS . 3.2 t30 -75.04 -167.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.836 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -128.0 103.6 7.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.496 HD11 ' CB ' ' A' ' 61' ' ' CYS . 16.0 mt -107.71 139.72 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.578 HG22 ' HB3' ' A' ' 58' ' ' PRO . 20.9 p -137.15 160.86 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -59.9 161.7 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.0 46.87 7.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -143.93 -62.01 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.718 HD12 HG11 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -59.92 167.77 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -157.18 164.17 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.56 100.99 13.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.8 p -113.71 115.59 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.499 HG23 ' OG ' ' A' ' 80' ' ' SER . 88.3 m -67.84 74.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.523 ' HD3' HD11 ' B' ' 69' ' ' ILE . 4.1 mtt85 -112.93 -35.83 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.783 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.614 ' O ' HG23 ' A' ' 83' ' ' VAL . 7.2 m-85 -127.9 46.49 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.695 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.499 ' OG ' HG23 ' A' ' 77' ' ' THR . 94.5 p -97.26 -71.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.717 ' HB2' HD11 ' B' ' 47' ' ' LEU . 32.0 mm-40 -59.28 -20.94 58.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.726 ' CB ' HD21 ' A' ' 22' ' ' LEU . 4.3 mt -73.23 -30.5 63.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.762 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.776 HG22 HD23 ' A' ' 22' ' ' LEU . 22.5 t -79.4 -40.33 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.96 -46.08 72.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -37.7 80.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.714 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.786 HD21 ' HG2' ' A' ' 18' ' ' MET . 0.1 OUTLIER -57.29 -45.0 84.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.748 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.725 HD21 ' CD2' ' A' ' 30' ' ' LEU . 28.4 mt -60.2 -35.78 76.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -68.13 -39.51 82.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 86' ' ' LEU . 19.3 mt -63.87 -40.97 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 87' ' ' LEU . 5.4 mt -67.26 -39.24 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.2 m -60.17 -39.61 87.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.71 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.87 90.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.88 -27.28 66.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -85.79 -26.51 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.74 -67.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -88.13 -62.43 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.628 HG23 HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -55.56 -41.67 73.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 57.47 27.22 58.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.766 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.566 HD23 ' HB ' ' A' ' 97' ' ' THR . 4.5 mm? -76.33 -177.47 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.346 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.69 133.38 42.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CD2' HG21 ' A' ' 90' ' ' ILE . 70.9 t80 -110.12 162.33 14.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.73 -64.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.926 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.808 0.337 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.419 ' CB ' ' CD ' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -178.47 -61.61 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' B' ' 27' ' ' GLU . 57.9 Cg_endo -71.5 130.94 17.98 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.522 2.148 . . . . 0.0 112.244 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.67 159.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.01 -48.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.76 -69.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.37 44.92 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.879 ' HB2' HD21 ' A' ' 6' ' ' LEU . . . -146.33 162.13 38.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.676 ' HB3' HD23 ' B' ' 115' ' ' LEU . 1.8 m95 59.47 44.41 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.49 -69.32 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.409 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -68.2 -31.34 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.409 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 1.5 m -73.83 -34.55 64.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.482 ' CB ' HD22 ' B' ' 115' ' ' LEU . 29.3 ttt180 -60.11 -46.72 88.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.95 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.487 ' HB1' ' CG1' ' A' ' 89' ' ' ILE . . . -60.13 -40.85 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.056 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.731 HD22 ' CD1' ' B' ' 115' ' ' LEU . 10.0 tp -59.41 -42.92 92.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.14 -31.3 69.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -61.82 -53.61 53.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.691 HD11 ' HE2' ' B' ' 104' ' ' MET . 7.6 tt -61.33 -31.1 70.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -59.67 -37.83 79.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -30.69 66.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 81' ' ' GLN . 3.7 mm? -73.88 -32.7 63.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.499 HD21 ' SD ' ' B' ' 104' ' ' MET . 3.4 mm? -79.64 -20.48 46.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 123.5 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -59.83 155.3 16.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -33.73 60.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.449 ' NH1' ' CE1' ' B' ' 70' ' ' PHE . 10.5 mpt_? -102.16 -59.32 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' THR . 72.7 m -60.83 -19.45 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.2 t 44.6 47.27 8.54 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.867 0.365 . . . . 0.0 111.288 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -151.59 -175.69 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 37.7 mm -60.66 120.28 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.781 ' O ' HD13 ' B' ' 105' ' ' ILE . 8.9 mt -58.79 158.1 8.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 101.35 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.649 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.3 tt0 54.05 51.76 8.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.637 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.696 ' HB3' HD22 ' B' ' 57' ' ' LEU . 74.0 Cg_endo -75.4 -168.53 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.562 2.174 . . . . 0.0 112.62 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.86 HG13 ' O ' ' B' ' 96' ' ' LYS . 22.8 t -151.7 140.01 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.566 ' O ' HG21 ' B' ' 75' ' ' VAL . 23.6 m -58.37 -168.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.704 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.718 ' CD2' HG23 ' B' ' 75' ' ' VAL . 0.2 OUTLIER -120.41 -68.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.061 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.41 -109.37 0.23 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.635 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.46 29.35 7.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 21.1 p -116.21 -145.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -135.09 43.34 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 110.975 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.422 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 19.9 m170 -123.64 146.73 47.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.523 HD11 ' HD3' ' A' ' 78' ' ' ARG . 9.0 mt -148.78 141.81 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.916 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CE1' ' NH1' ' B' ' 52' ' ' ARG . 1.1 m-85 -150.51 160.44 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.528 ' O ' HG12 ' B' ' 75' ' ' VAL . 31.2 p -59.02 162.01 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p -57.8 -21.27 41.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.283 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -99.34 20.43 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.486 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 m -142.85 -53.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 1.111 HG22 HD11 ' B' ' 79' ' ' ILE . 14.8 p -59.97 -39.33 79.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.29 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.404 ' HA ' ' CG1' ' B' ' 79' ' ' ILE . 10.3 t -55.59 -21.82 19.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.355 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -49.96 -26.82 4.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.41 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 50.4 m -153.25 76.68 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 111.324 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 1.111 HD11 HG22 ' B' ' 75' ' ' VAL . 43.6 mm -125.61 158.16 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.001 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' GLY . . . . . 0.494 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 77.32 25.45 63.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.341 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 82.1 m -158.72 -45.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.94 139.27 3.68 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.537 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.4 t -57.51 134.82 82.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.644 0.259 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.43 -22.07 9.74 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.513 2.142 . . . . 0.0 112.66 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 13.3 t -89.1 -28.99 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.292 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 20.6 m -98.85 -23.1 15.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 62.47 37.62 13.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 3.9 m -119.63 135.85 24.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.29 142.97 55.16 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.468 2.112 . . . . 0.0 112.255 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.14 90.22 4.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' TRP . . . . . 0.419 ' CH2' ' HG3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -58.54 -25.27 62.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.415 HD11 ' O ' ' B' ' 63' ' ' LEU . 1.2 pt -99.85 88.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.178 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -29.09 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -106.91 142.82 35.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.776 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.81 80.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.86 ' O ' HG13 ' B' ' 61' ' ' VAL . 12.9 mmtt -71.29 139.67 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.802 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 35.0 mt -104.12 135.25 42.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.313 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -97.86 92.42 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.651 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -28.96 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.34 -51.94 63.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.1 -48.51 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.752 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -65.27 -47.22 77.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.786 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 35.4 t -55.38 -31.16 61.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.707 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.691 ' HE2' HD11 ' B' ' 44' ' ' LEU . 17.9 ttm -71.38 -33.2 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.691 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.781 HD13 ' O ' ' B' ' 57' ' ' LEU . 45.1 mt -57.84 -48.84 82.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.72 -39.76 89.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.478 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 1.013 HD23 HG13 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -63.89 -45.82 87.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.606 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.32 -36.78 71.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.582 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -34.48 77.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.445 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.741 ' HE3' HG22 ' A' ' 14' ' ' VAL . 40.4 mtmt -58.64 -51.88 68.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.666 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.59 ' CB ' HD13 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -59.93 -34.91 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.765 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -59.72 -44.59 93.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -75.48 -33.01 60.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.661 HD13 ' O ' ' B' ' 110' ' ' LYS . 9.7 mp -72.32 -31.64 65.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.731 ' CD1' HD22 ' B' ' 41' ' ' LEU . 6.3 mt -74.17 -31.58 62.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -69.46 -74.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.42 -176.93 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -136.8 31.34 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 60.21 106.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.582 HD12 ' H ' ' B' ' 121' ' ' SER . 0.2 OUTLIER -110.53 -35.76 5.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.809 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 121' ' ' SER . . . . . 0.582 ' H ' HD12 ' B' ' 120' ' ' LEU . 3.4 m -175.11 160.22 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.889 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tmm? . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.794 0.331 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -98.43 30.15 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' B' ' 34' ' ' TRP . 3.5 tp 56.88 42.34 26.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.77 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.625 ' OG ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 55.05 21.7 3.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.42 22.9 3.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.702 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.6 pp -87.39 83.99 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 55.56 79.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.564 HG12 HD22 ' A' ' 99' ' ' LEU . 21.6 t -126.51 -44.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -50.61 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -61.19 -28.27 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.546 ' O ' HD12 ' A' ' 15' ' ' ILE . 34.9 t -69.65 -30.72 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -71.87 -36.2 70.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -64.55 -40.02 94.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.614 ' CG1' HD13 ' B' ' 111' ' ' LEU . 24.3 t -59.41 -56.17 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.546 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.8 mt -56.66 -29.8 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.201 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -63.0 -58.39 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.688 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.53 -31.64 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.785 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.693 ' HG2' HD13 ' A' ' 86' ' ' LEU . 6.4 tpp -64.61 -35.36 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.464 ' HA ' HD23 ' A' ' 86' ' ' LEU . 3.4 tt0 -68.13 -32.81 73.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -59.53 -40.43 87.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.723 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.847 HD13 ' HG2' ' B' ' 104' ' ' MET . 4.9 mt -66.1 -31.39 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.851 HD12 HG22 ' A' ' 83' ' ' VAL . 3.9 mm? -107.17 31.03 5.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -99.17 -170.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.38 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.4 t -111.5 141.47 24.59 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.704 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.449 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 68.7 Cg_endo -93.25 -9.42 2.04 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.825 2.35 . . . . 0.0 114.638 -178.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 27' ' ' CYS . 2.1 pt -131.62 -32.62 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.451 ' N ' HG13 ' A' ' 26' ' ' ILE . 9.9 m -105.81 -13.51 15.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.665 0.269 . . . . 0.0 111.453 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 3.4 mm? 59.3 27.46 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.829 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 9.6 pt-20 -113.05 126.85 55.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 87' ' ' LEU . 12.0 tp -38.33 100.82 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.446 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.905 HG22 ' HB3' ' A' ' 44' ' ' CYS . 28.7 pt -50.71 141.43 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.748 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.19 -39.86 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.705 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 35' ' ' VAL . 13.1 mp0 -110.46 93.48 16.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' CB ' ' A' ' 80' ' ' SER . 78.4 Cg_exo -48.33 120.94 5.54 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.575 2.183 . . . . 0.0 112.779 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.821 HG21 ' HA ' ' A' ' 45' ' ' LYS . 40.4 t -127.36 123.82 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.49 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 14.3 p -105.51 130.76 53.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.926 0.393 . . . . 0.0 111.576 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.459 HG22 ' HE3' ' A' ' 48' ' ' MET . 13.6 p -96.5 163.72 12.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.514 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HG2' ' CZ2' ' B' ' 91' ' ' TRP . 4.6 mttp -47.18 -26.17 1.09 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.098 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.79 10.02 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.2 t70 63.58 44.93 4.92 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.027 0.442 . . . . 0.0 110.478 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.727 ' ND1' HD22 ' A' ' 63' ' ' LEU . 26.7 m170 -108.17 -173.63 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.999 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 41' ' ' HIS . 25.8 mm -133.22 154.07 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.27 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CE2' ' HG2' ' A' ' 25' ' ' PRO . 63.3 m-85 -153.37 174.28 14.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.905 ' HB3' HG22 ' A' ' 31' ' ' ILE . 18.8 p -97.79 27.7 4.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.821 ' HA ' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER 62.87 144.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.835 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.4 t80 74.7 4.13 4.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.504 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 26' ' ' ILE . 85.2 m -76.97 -32.82 57.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.981 0.419 . . . . 0.0 110.585 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.459 ' HE3' HG22 ' A' ' 37' ' ' THR . 12.4 mmt -65.84 -42.6 90.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.509 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.32 -45.76 92.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.537 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -76.15 -31.9 58.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.73 -31.14 64.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 70' ' ' LYS . 1.1 mp -88.54 -35.71 16.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -73.76 -34.63 64.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -58.73 -31.23 68.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -97.66 -176.82 3.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 18.06 19.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.95 -154.54 9.07 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.617 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.87 ' HB3' HG22 ' A' ' 69' ' ' THR . 88.3 Cg_exo -47.53 144.68 9.99 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.806 2.338 . . . . 0.0 112.576 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -171.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.769 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -165.33 104.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 45.9 t -45.38 104.29 0.39 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.57 -12.03 34.13 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.452 2.101 . . . . 0.0 112.566 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.727 HD22 ' ND1' ' A' ' 41' ' ' HIS . 5.6 mp -79.16 -30.57 43.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.6 m -118.69 -61.27 1.67 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.77 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 pttp 172.54 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 173.35 137.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 169.35 39.07 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.4 mt -151.94 143.59 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.99 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.87 HG22 ' HB3' ' A' ' 58' ' ' PRO . 21.5 p -148.62 36.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HB2' HD22 ' A' ' 52' ' ' LEU . 18.6 ttmm 59.28 162.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 59.42 71.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -172.04 -56.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.403 ' CD1' ' HG3' ' A' ' 48' ' ' MET . 0.3 OUTLIER -59.54 -178.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -173.06 138.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.793 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.03 101.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -101.8 169.98 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.1 m -110.7 72.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.844 ' CD ' HD11 ' B' ' 69' ' ' ILE . 0.5 OUTLIER -118.76 -64.28 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.591 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.4 m-85 -97.52 37.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.412 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -87.55 -69.8 0.66 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.595 ' HB2' HD11 ' B' ' 47' ' ' LEU . 25.0 mt-30 -63.32 -28.01 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.747 ' HG ' HD22 ' B' ' 47' ' ' LEU . 15.3 mt -59.32 -30.98 68.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.865 0.364 . . . . 0.0 110.632 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.851 HG22 HD12 ' A' ' 22' ' ' LEU . 21.9 t -78.51 -52.77 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.939 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.04 -37.72 88.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.798 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -59.05 -47.83 83.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.815 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.752 ' HA ' HD12 ' A' ' 89' ' ' ILE . 16.3 tp -58.62 -47.08 85.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 90' ' ' ILE . 7.5 tp -54.14 -30.32 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -75.84 -31.16 59.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 86' ' ' LEU . 30.9 mt -69.02 -31.68 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.714 HG21 ' CD2' ' A' ' 101' ' ' TYR . 4.5 mt -78.39 -39.65 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.83 -50.9 72.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' B' ' 36' ' ' HIS . . . -59.51 -47.9 83.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' A' ' 97' ' ' THR . 2.9 t80 -59.55 -47.38 85.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.33 -30.69 69.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -47.83 84.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.4 -66.64 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.712 ' HB ' HD13 ' A' ' 99' ' ' LEU . 16.4 p -66.44 -54.1 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.77 28.36 73.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.55 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 97' ' ' THR . 7.0 mp -79.17 167.08 21.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.13 144.07 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.714 ' CD2' HG21 ' A' ' 90' ' ' ILE . 15.0 t80 -130.49 -63.11 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -168.31 134.24 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.889 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -81.63 149.83 65.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.08 -179.55 3.14 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.56 2.173 . . . . 0.0 112.33 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -104.88 175.94 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.22 -113.52 4.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -139.77 153.13 47.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.68 -108.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.527 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.679 ' HB1' HD11 ' A' ' 3' ' ' LEU . . . -64.05 155.12 32.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.322 . . . . 0.0 111.071 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.724 ' HB2' HD21 ' A' ' 3' ' ' LEU . 72.0 t-105 60.34 92.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -174.17 -41.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.592 ' HB2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.37 -29.45 66.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -74.16 -31.61 62.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.65 ' HA ' HD21 ' B' ' 115' ' ' LEU . 0.3 OUTLIER -60.53 -53.03 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.32 87.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.624 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -65.97 -32.69 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.627 HD21 ' SG ' ' B' ' 108' ' ' CYS . 9.5 tt -58.06 -45.76 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -65.86 -32.49 74.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.784 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -60.51 -31.47 70.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tt -75.46 -40.15 57.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -59.98 -25.29 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -32.24 56.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.06 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.747 HD22 ' HG ' ' A' ' 82' ' ' LEU . 4.0 mp -95.22 17.71 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.501 ' CD1' HD11 ' B' ' 101' ' ' LEU . 0.9 OUTLIER -129.1 -40.87 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.062 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.13 105.62 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.864 0.364 . . . . 0.0 110.988 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 41.1 t -51.02 153.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.274 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -85.97 -31.29 22.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.451 ' CD ' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -88.12 -58.61 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.404 ' O ' ' CG2' ' B' ' 54' ' ' THR . 91.1 m -68.41 -13.15 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.392 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.5 t 44.62 50.51 8.38 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.991 0.424 . . . . 0.0 111.321 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -169.12 -165.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.762 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.489 HG22 ' N ' ' B' ' 57' ' ' LEU . 40.3 mm -57.52 158.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' B' ' 60' ' ' PRO . 13.1 mt -98.27 164.36 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -169.28 113.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.486 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 4.7 tt0 47.73 51.02 9.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.629 ' HB3' HD22 ' B' ' 57' ' ' LEU . 73.6 Cg_endo -76.78 177.49 8.79 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.644 2.229 . . . . 0.0 112.689 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.796 HG13 ' O ' ' B' ' 96' ' ' LYS . 38.2 t -136.46 138.58 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.566 ' O ' HD11 ' B' ' 92' ' ' ILE . 0.8 OUTLIER -59.0 168.45 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.502 HD23 ' CE1' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -99.56 -54.57 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.18 -105.94 0.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.557 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.0 38.42 2.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.77 -145.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -128.1 42.59 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -131.01 141.68 50.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.844 HD11 ' CD ' ' A' ' 78' ' ' ARG . 13.9 mt -141.81 147.68 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.502 ' CE1' HD23 ' B' ' 63' ' ' LEU . 8.5 m-85 -146.07 170.86 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 111.039 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.6 m -61.2 178.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.65 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.4 OUTLIER -70.76 -30.36 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -94.71 17.62 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.232 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 51.3 m -101.19 -65.89 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.1 -29.67 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -48.81 -27.94 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.281 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -47.03 65.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 50.2 m -138.51 57.06 1.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.756 HD11 HD12 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -95.89 139.66 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.359 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 80' ' ' GLY . . . . . 0.446 ' HA2' ' HB3' ' B' ' 90' ' ' ALA . . . 112.38 -28.8 8.79 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.808 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.3 t -76.36 -28.54 56.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 110.601 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' B' ' 89' ' ' PRO . . . 104.38 139.12 9.91 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.495 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.42 127.61 77.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.594 0.235 . . . . 0.0 110.973 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -78.54 -16.35 13.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.57 2.18 . . . . 0.0 112.606 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 26.3 t -89.51 -28.63 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 16.1 m -94.81 -18.58 21.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.216 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 65.21 36.79 6.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.457 HG23 ' HD2' ' B' ' 89' ' ' PRO . 89.7 m -132.63 139.33 34.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.751 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PRO . . . . . 0.457 ' HD2' HG23 ' B' ' 88' ' ' THR . 49.1 Cg_endo -69.0 143.64 55.22 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.449 2.099 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.446 ' HB3' ' HA2' ' B' ' 80' ' ' GLY . . . -65.81 91.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' TRP . . . . . 0.411 ' CZ2' ' HG2' ' A' ' 38' ' ' LYS . 51.6 t90 -57.51 -23.37 49.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.756 HD12 HD11 ' B' ' 79' ' ' ILE . 1.1 pt -96.61 85.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -58.48 -27.57 64.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -99.74 164.98 11.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.623 ' CD1' HG11 ' B' ' 61' ' ' VAL . 3.9 mm? -82.44 73.35 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.796 ' O ' HG13 ' B' ' 61' ' ' VAL . 11.1 mttt -69.7 137.5 52.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mt -110.64 134.84 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -93.44 90.22 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -56.58 -29.05 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.19 -55.28 19.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' B' ' 48' ' ' LEU . 11.3 tp -59.97 -30.97 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.8 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.786 ' HA ' HD12 ' B' ' 105' ' ' ILE . 2.2 m-20 -64.81 -50.76 65.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.664 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -60.7 -31.85 71.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.72 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.847 ' HG2' HD13 ' A' ' 21' ' ' ILE . 2.4 mtp -60.26 -42.53 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' B' ' 102' ' ' ASP . 4.8 mt -59.73 -57.02 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.009 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -57.89 -32.11 67.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.678 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.727 HD13 ' HE2' ' B' ' 110' ' ' LYS . 0.3 OUTLIER -61.02 -53.01 62.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.726 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.627 ' SG ' HD21 ' B' ' 41' ' ' LEU . 52.6 t -57.71 -31.7 66.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.769 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -39.66 85.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.727 ' HE2' HD13 ' B' ' 107' ' ' LEU . 39.3 mtmt -62.21 -48.63 79.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.618 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' B' ' 114' ' ' LEU . 2.8 tp -60.28 -37.3 80.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -59.54 -38.49 81.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -68.53 -33.43 74.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' B' ' 111' ' ' LEU . 4.4 mt -75.55 -30.94 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.65 HD21 ' HA ' ' B' ' 38' ' ' ARG . 8.5 mp -74.59 -30.94 61.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -133.0 109.73 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -117.6 31.58 6.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -144.82 -53.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.56 86.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.4 -46.94 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 2.7 m -146.35 179.34 7.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.872 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.829 0.347 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.22 153.97 20.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.754 HD22 ' CZ3' ' B' ' 34' ' ' TRP . 5.1 mp -83.77 58.61 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 m 64.16 15.4 9.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.349 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.72 23.15 3.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.715 0.293 . . . . 0.0 111.535 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.75 -30.75 61.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.725 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.431 ' HG2' ' CZ2' ' B' ' 34' ' ' TRP . 0.5 OUTLIER -164.88 -80.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.404 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t 64.1 -73.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.281 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -55.79 -30.76 61.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.044 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' OE1' HD21 ' B' ' 114' ' ' LEU . 1.2 tm-20 -72.06 -59.89 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.768 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 93' ' ' PHE . 22.5 t -59.46 -39.53 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -54.32 -47.16 72.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -60.74 -31.87 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.537 HG13 HD13 ' B' ' 107' ' ' LEU . 25.2 t -68.39 -43.32 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.855 HD12 HG22 ' A' ' 89' ' ' ILE . 25.6 mm -58.7 -44.27 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.69 -45.16 72.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.763 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.78 -33.23 70.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.7 ' SD ' HD13 ' B' ' 44' ' ' LEU . 25.7 ttm -71.41 -31.32 67.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.802 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.88 -28.9 67.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -57.04 -33.67 67.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.556 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.3 mp -70.09 -21.63 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 82' ' ' LEU . 2.9 mm? -117.98 41.04 2.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.696 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -104.16 -175.61 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.446 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.7 t -108.98 140.1 21.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.644 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.463 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 63.0 Cg_endo -93.17 -9.8 1.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.887 2.391 . . . . 0.0 114.652 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.538 HG21 ' HG3' ' A' ' 62' ' ' PRO . 3.1 pt -129.64 -32.97 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.456 ' N ' HG13 ' A' ' 26' ' ' ILE . 9.8 m -106.01 -14.78 15.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.573 0.225 . . . . 0.0 111.318 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 2.7 mm? 60.67 26.37 16.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.685 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.2 mt-10 -111.65 124.53 52.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.705 HD21 HD21 ' A' ' 87' ' ' LEU . 14.7 tp -37.11 102.3 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.499 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.773 HG22 ' HB3' ' A' ' 44' ' ' CYS . 36.4 pt -52.28 136.17 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.505 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -36.8 5.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.627 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -114.56 81.66 7.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.567 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HG2' ' CA ' ' A' ' 80' ' ' SER . 73.7 Cg_exo -49.07 140.82 23.94 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.648 2.232 . . . . 0.0 112.502 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG11 ' SD ' ' A' ' 48' ' ' MET . 11.0 p -149.42 126.71 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.942 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.7 p -93.96 116.83 29.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.597 HG21 ' CE1' ' A' ' 43' ' ' PHE . 3.7 p -79.69 162.7 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.496 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -47.99 -27.54 2.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.901 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.1 t -91.73 15.54 12.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.33 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 63.65 41.54 7.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.851 0.357 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 26.1 m170 -109.27 149.15 29.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 41.8 mm -98.63 150.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.462 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.597 ' CE1' HG21 ' A' ' 37' ' ' THR . 92.6 m-85 -157.62 172.32 18.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.53 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.773 ' HB3' HG22 ' A' ' 31' ' ' ILE . 19.8 p -97.93 31.13 2.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 tptt 70.17 -63.29 0.4 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.48 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -47.96 -29.23 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.431 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HA ' HD11 ' A' ' 26' ' ' ILE . 38.1 m -60.59 -38.56 85.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.66 ' SD ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -59.11 -38.77 80.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 46' ' ' PHE . 4.5 mp -68.56 -47.8 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.821 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -69.38 -37.87 77.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.594 HD23 ' HB2' ' A' ' 59' ' ' SER . 7.7 tp -71.32 -30.83 66.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 48' ' ' MET . 13.7 mt -82.31 -34.26 28.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -98.56 -0.55 43.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.421 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -59.32 -75.71 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.71 28.92 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mttt 60.28 158.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.54 -156.92 52.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.553 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.79 152.7 12.82 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.606 2.204 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.594 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.09 138.05 34.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.446 ' O ' HD11 ' A' ' 51' ' ' LEU . 14.3 mt-30 -96.83 114.72 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.35 116.74 12.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.538 ' HG3' HG21 ' A' ' 26' ' ' ILE . 82.5 Cg_endo -86.51 39.33 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.714 2.276 . . . . 0.0 112.602 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -133.95 -47.09 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.948 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.0 p -135.0 27.67 3.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tptt 55.7 23.25 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.25 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -60.07 -167.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -140.49 110.58 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.562 ' CG2' HD21 ' A' ' 73' ' ' LEU . 3.9 mt -101.86 141.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.51 49.57 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.717 ' HA ' HD23 ' A' ' 73' ' ' LEU . 3.7 tttt 55.86 -173.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.81 -62.6 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.309 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -21.41 35.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.299 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 70' ' ' LYS . 3.3 mm? -70.76 106.76 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -130.06 123.06 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.28 118.08 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -91.81 157.68 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.6 m -112.96 -21.4 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.262 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.34 -35.39 69.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.07 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.701 ' HA ' HD12 ' A' ' 82' ' ' LEU . 2.9 m-85 -102.77 22.07 14.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.199 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.402 ' CA ' ' HG2' ' A' ' 34' ' ' PRO . 10.5 t -91.5 -58.32 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.661 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.459 ' HB2' HD11 ' B' ' 47' ' ' LEU . 68.2 mt-30 -66.6 -27.77 67.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 79' ' ' PHE . 89.1 mt -59.2 -31.98 69.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.466 HG11 ' O ' ' A' ' 31' ' ' ILE . 20.6 t -75.28 -56.0 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.58 -39.31 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.56 ' OE1' HD13 ' B' ' 47' ' ' LEU . 13.2 mt-10 -60.39 -42.27 95.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.06 -38.0 78.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.705 HD21 HD21 ' A' ' 30' ' ' LEU . 4.1 mm? -59.48 -42.88 93.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -66.32 -32.0 73.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.855 HG22 HD12 ' A' ' 15' ' ' ILE . 15.6 mt -74.81 -31.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.743 HD11 HD12 ' A' ' 86' ' ' LEU . 5.4 mt -79.37 -47.56 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.1 m -59.59 -46.01 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.555 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -59.57 -43.81 93.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.518 ' CE2' HG21 ' A' ' 97' ' ' THR . 13.7 t80 -56.43 -30.69 63.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.28 -30.93 54.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 tp -62.56 -33.24 74.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.55 ' HB3' HD11 ' A' ' 3' ' ' LEU . 1.1 m-20 -96.95 -71.69 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.646 ' HB ' HD13 ' A' ' 99' ' ' LEU . 12.6 p -59.57 -57.39 13.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.82 27.53 23.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.646 HD13 ' HB ' ' A' ' 97' ' ' THR . 9.1 mp -92.09 164.59 13.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -78.55 152.48 31.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.49 ' CG ' HG21 ' A' ' 90' ' ' ILE . 47.6 t80 -110.75 151.94 27.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 60.57 106.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.7 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.928 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 11.4 ttp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -115.2 84.77 11.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.22 90.13 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.567 2.178 . . . . 0.0 112.267 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -106.22 -31.23 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 164.42 48.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -106.25 116.24 31.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -133.0 137.94 9.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.62 ' HB1' HD23 ' A' ' 3' ' ' LEU . . . -132.31 157.5 44.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.754 ' CZ3' HD22 ' A' ' 3' ' ' LEU . 12.1 m95 60.11 30.72 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.14 -62.11 1.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.555 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.11 -30.64 69.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.5 t -62.46 -31.55 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -44.99 52.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.53 92.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.636 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -66.04 -36.09 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' B' ' 111' ' ' LEU . 14.6 tp -59.76 -46.58 88.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.79 -34.87 76.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -57.87 -39.21 77.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.7 HD13 ' SD ' ' A' ' 18' ' ' MET . 7.7 tt -77.47 -29.96 52.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.86 -31.02 68.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -30.72 64.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.614 ' CB ' HD21 ' A' ' 82' ' ' LEU . 2.8 mp -100.68 18.01 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.215 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.619 HD12 HG12 ' B' ' 105' ' ' ILE . 3.8 mm? -122.76 -41.51 2.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -55.76 130.18 42.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 0.646 ' CA ' HD23 ' B' ' 57' ' ' LEU . 48.0 t -60.15 156.42 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 1.3 m -78.77 -34.06 45.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -60.33 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.787 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 35.9 m -57.39 -22.48 43.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 5.3 t 44.12 62.25 2.05 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.42 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -168.52 -178.49 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.81 75.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.666 ' O ' HG21 ' B' ' 105' ' ' ILE . 2.5 pp -51.38 170.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.488 ' HA ' HD13 ' B' ' 105' ' ' ILE . 1.5 mtp85 -149.86 124.0 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 68.5 tt0 56.36 53.42 7.55 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.607 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.541 ' HG3' HD13 ' B' ' 57' ' ' LEU . 52.1 Cg_endo -69.52 -174.23 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.59 2.193 . . . . 0.0 112.577 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.811 HG13 ' O ' ' B' ' 96' ' ' LYS . 22.3 t -131.34 145.78 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.0 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.3 m -73.67 140.19 45.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.791 HD22 HG23 ' B' ' 75' ' ' VAL . 1.1 tm? -63.04 -63.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.81 -51.59 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.529 ' O ' HG21 ' B' ' 88' ' ' THR . . . -179.49 43.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.523 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 0.5 OUTLIER -121.34 -80.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' B' ' 66' ' ' CYS . 35.0 tt0 177.34 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.436 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 31.3 m80 -55.42 140.32 40.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.168 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.536 HG21 HD13 ' B' ' 101' ' ' LEU . 2.1 mp -131.59 128.99 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.713 ' CE1' HD23 ' B' ' 63' ' ' LEU . 0.7 OUTLIER -129.16 167.24 17.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.867 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 16.0 m -62.36 -169.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.689 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.5 ' HA ' HG23 ' B' ' 61' ' ' VAL . 83.6 p -96.31 27.88 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -156.19 23.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 12.5 m -132.67 -49.86 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.801 HG22 HD11 ' B' ' 79' ' ' ILE . 11.6 p -57.95 -31.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.071 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -64.52 80.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -152.31 -47.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 69.2 m -128.16 38.41 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.785 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.801 HD11 HG22 ' B' ' 75' ' ' VAL . 12.8 mm -73.29 -31.86 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.39 -27.77 68.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.49 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.456 HG23 ' N ' ' B' ' 82' ' ' GLY . 11.1 t -105.53 -47.62 3.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLY . . . . . 0.649 ' HA2' ' HB2' ' B' ' 90' ' ' ALA . . . 152.72 -118.3 0.87 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.441 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 45.0 t -118.05 134.31 23.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 120.622 0.248 . . . . 0.0 110.77 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -77.87 -16.67 14.33 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.517 2.145 . . . . 0.0 112.692 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 20.9 t -96.37 -66.78 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.798 0.332 . . . . 0.0 111.336 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 27.0 m -70.8 -14.49 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.319 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 61.94 26.51 16.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.75 0.309 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.529 HG21 ' O ' ' B' ' 65' ' ' GLY . 64.7 m -93.67 128.81 40.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.07 143.1 63.76 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.38 2.054 . . . . 0.0 112.295 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.649 ' HB2' ' HA2' ' B' ' 82' ' ' GLY . . . -68.84 114.52 7.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -94.08 16.57 14.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.327 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.547 HD11 ' O ' ' B' ' 63' ' ' LEU . 14.4 pt -118.19 -41.24 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 61.12 15.77 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.459 ' O ' HD12 ' B' ' 92' ' ' ILE . 1.5 t0 -160.84 -176.51 5.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.819 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 29.2 mt -109.2 90.9 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.811 ' O ' HG13 ' B' ' 61' ' ' VAL . 11.3 mttp -84.49 -172.37 4.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.486 HD13 ' O ' ' B' ' 96' ' ' LYS . 23.4 mm -131.96 135.39 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.18 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -81.32 81.35 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.757 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -56.98 -32.12 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -81.67 -55.8 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.942 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.536 HD13 HG21 ' B' ' 69' ' ' ILE . 0.3 OUTLIER -60.68 -41.21 94.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.486 ' HA ' HD12 ' B' ' 105' ' ' ILE . 30.0 t0 -59.12 -48.57 81.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.85 -30.45 63.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.545 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.578 ' CE ' HD11 ' B' ' 44' ' ' LEU . 24.9 ttm -71.02 -32.38 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.654 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.666 HG21 ' O ' ' B' ' 57' ' ' LEU . 59.1 mt -59.1 -51.47 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.562 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.73 -31.44 71.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.63 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -62.56 -51.1 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.781 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.5 t -58.52 -31.84 68.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -41.3 93.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.707 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.519 ' HE3' HG22 ' A' ' 14' ' ' VAL . 15.7 mtmt -59.87 -51.33 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.785 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' B' ' 41' ' ' LEU . 0.7 OUTLIER -62.99 -35.86 81.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -38.13 78.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -87.29 -31.24 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.496 ' CD1' HG21 ' A' ' 14' ' ' VAL . 40.3 mt -65.08 -31.54 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.561 HD23 ' HB3' ' B' ' 34' ' ' TRP . 1.9 mt -92.33 -31.22 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.86 -42.09 92.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.51 85.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' B' ' 115' ' ' LEU . 12.0 p30 -159.2 151.35 21.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.38 166.99 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 17.0 mt -142.64 33.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 4.3 m 60.45 102.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.902 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.726 0.298 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.531 ' O ' HG21 ' A' ' 8' ' ' VAL . 45.3 m-20 57.71 30.24 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.599 HD11 ' OD2' ' A' ' 96' ' ' ASP . 3.2 tp 56.3 37.85 29.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m 62.17 21.32 12.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.27 23.32 5.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.419 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 3' ' ' LEU . 12.0 mt -58.28 -53.17 61.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.017 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.6 ttt180 -175.36 49.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.606 ' CG1' HD22 ' A' ' 99' ' ' LEU . 21.5 t -85.13 -30.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.73 -38.72 73.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.458 ' CB ' HD22 ' B' ' 114' ' ' LEU . 7.0 mm-40 -68.71 -52.58 29.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 7' ' ' ARG . 38.9 t -59.13 -47.25 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -53.16 -34.95 59.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -69.5 -30.96 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.49 HG13 ' HE3' ' B' ' 110' ' ' LYS . 34.6 t -73.93 -37.12 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.9 mm -65.12 -32.47 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.98 -45.66 60.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.786 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.78 -44.46 90.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 6.0 ttm -57.72 -41.07 81.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -59.24 -40.09 84.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -59.05 -31.92 69.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 18' ' ' MET . 27.9 mt -70.59 -31.34 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.75 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.737 HD12 HG22 ' A' ' 83' ' ' VAL . 3.8 mm? -105.14 29.58 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.762 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.86 -169.49 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.133 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 10.7 t -114.93 137.47 22.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.944 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -93.86 13.12 1.64 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.976 2.451 . . . . 0.0 114.019 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.574 HG21 ' HE2' ' A' ' 43' ' ' PHE . 2.3 pp -138.0 -40.2 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.548 ' HB3' HD12 ' A' ' 26' ' ' ILE . 28.6 p -125.07 2.34 7.95 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.5 mm? 57.09 29.8 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.343 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.3 mm-40 -103.96 119.61 39.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.608 0.242 . . . . 0.0 110.862 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' CD2' HD21 ' A' ' 87' ' ' LEU . 16.0 tp -38.17 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.385 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.815 HG22 ' SG ' ' A' ' 44' ' ' CYS . 24.1 pt -49.78 133.54 8.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.633 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.43 -33.42 6.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -115.76 80.73 8.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.73 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HG2' ' CA ' ' A' ' 80' ' ' SER . 63.7 Cg_exo -51.34 131.65 36.93 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.597 2.198 . . . . 0.0 112.542 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 35' ' ' VAL . 11.2 p -145.56 120.67 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.861 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.8 p -75.55 128.91 36.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.77 HG22 HD23 ' A' ' 73' ' ' LEU . 4.0 p -95.79 162.94 13.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.7 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HD3' ' CZ3' ' B' ' 91' ' ' TRP . 0.5 OUTLIER -47.82 -28.36 2.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.537 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.8 m -96.26 26.46 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.122 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 54.27 51.22 14.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.29 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.929 ' ND1' HD22 ' A' ' 63' ' ' LEU . 89.5 m-70 -126.02 151.42 47.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.427 HG13 ' CD2' ' A' ' 79' ' ' PHE . 32.8 mm -97.78 138.37 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' HE2' HG21 ' A' ' 26' ' ' ILE . 15.5 m-85 -136.38 177.44 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.815 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.7 m -99.56 30.49 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt 64.02 -75.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.464 ' HA ' HD13 ' A' ' 49' ' ' LEU . 1.1 t80 -52.47 -26.31 12.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.204 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.477 ' SG ' HD11 ' A' ' 26' ' ' ILE . 74.2 m -57.51 -31.42 66.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.561 ' CE ' HD21 ' A' ' 73' ' ' LEU . 9.2 mmt -68.85 -37.3 79.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 46' ' ' PHE . 4.1 mp -59.5 -56.18 25.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -38.64 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.796 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 59' ' ' SER . 20.5 tp -69.99 -32.59 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.703 HD23 ' N ' ' A' ' 59' ' ' SER . 10.3 mt -77.72 -30.93 51.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.38 -20.08 20.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -54.39 -30.6 52.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.104 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -136.77 23.98 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? 60.66 154.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.989 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.09 -156.25 11.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.584 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.12 158.77 3.11 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.593 2.195 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.703 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -91.18 -174.66 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -133.73 113.39 12.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.504 ' HA ' HD11 ' A' ' 68' ' ' ILE . 46.7 t -57.1 109.49 1.77 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.54 -15.4 22.0 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.508 2.139 . . . . 0.0 112.68 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.929 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.7 mp -79.47 -28.37 41.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 111.228 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 m -138.95 21.45 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.274 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.02 28.06 1.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -82.95 -169.15 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -124.62 102.08 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.504 HD11 ' HA ' ' A' ' 61' ' ' CYS . 24.1 mt -82.48 158.59 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.494 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -134.22 -174.62 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 52' ' ' LEU . 15.6 mttm -98.17 33.66 2.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.9 mtm-85 -168.34 34.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.74 -43.2 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.77 HD23 HG22 ' A' ' 37' ' ' THR . 1.9 mp -60.07 169.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -141.63 91.19 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.29 102.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.0 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 m -130.2 -175.77 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.579 HG23 ' OG ' ' A' ' 80' ' ' SER . 82.1 m -114.34 85.68 2.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -53.16 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.717 ' O ' HG23 ' A' ' 83' ' ' VAL . 42.2 m-85 -108.39 33.3 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.741 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.579 ' OG ' HG23 ' A' ' 77' ' ' THR . 21.8 p -85.56 -41.56 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.717 ' HB2' HD22 ' B' ' 47' ' ' LEU . 7.3 mm-40 -83.53 -31.2 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.721 HD23 HD12 ' B' ' 47' ' ' LEU . 44.6 mt -63.15 -30.78 71.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.737 HG22 HD12 ' A' ' 22' ' ' LEU . 25.6 t -82.93 -34.7 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -76.68 -49.72 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -41.34 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.729 ' HA ' HD12 ' A' ' 89' ' ' ILE . 19.3 tp -57.59 -47.68 81.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.873 ' HA ' HD12 ' A' ' 90' ' ' ILE . 49.5 mt -57.05 -31.04 64.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -73.89 -37.19 64.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.759 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 86' ' ' LEU . 18.2 mt -66.92 -32.7 59.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 87' ' ' LEU . 11.9 mt -68.29 -42.46 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.1 m -64.8 -36.35 84.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' B' ' 36' ' ' HIS . . . -59.74 -40.72 89.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.442 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -59.13 -56.17 25.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -62.32 -30.9 71.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.12 -41.93 93.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.599 ' OD2' HD11 ' A' ' 3' ' ' LEU . 37.4 t0 -98.55 -65.74 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.648 ' HB ' HD13 ' A' ' 99' ' ' LEU . 14.6 p -58.64 -56.59 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.99 26.96 22.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.548 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.648 HD13 ' HB ' ' A' ' 97' ' ' THR . 8.3 mp -94.11 165.97 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.58 131.06 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.582 ' CD2' HG21 ' A' ' 90' ' ' ILE . 38.3 t80 -86.28 -38.33 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -174.23 79.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.5 t30 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.913 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.8 0.333 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.91 153.96 38.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 107.7 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.628 2.219 . . . . 0.0 112.297 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -154.53 -53.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 165.63 42.07 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.576 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -105.41 -31.2 9.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.43 51.01 3.62 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.48 156.06 33.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' TRP . . . . . 0.586 ' CZ2' HD23 ' A' ' 3' ' ' LEU . 25.7 m95 60.14 31.5 20.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.86 -60.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.01 -30.72 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -35.24 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -44.3 54.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.0 75.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.572 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -59.84 -31.49 69.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' B' ' 111' ' ' LEU . 48.6 tp -60.75 -46.87 88.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -59.68 -36.08 75.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -61.81 -40.93 96.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.506 HD23 HD12 ' B' ' 48' ' ' LEU . 8.0 tt -71.09 -31.22 67.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -58.88 -39.87 82.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -26.29 60.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.721 HD12 HD23 ' A' ' 82' ' ' LEU . 6.4 mt -79.65 -30.01 41.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.683 HD22 HG13 ' B' ' 105' ' ' ILE . 10.5 mt -93.32 -25.24 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -52.72 122.14 8.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' CYS . . . . . 0.535 ' HB2' HD23 ' B' ' 57' ' ' LEU . 42.5 t -55.97 149.85 14.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -29.9 59.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -97.88 -58.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.408 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.1 m -63.91 -16.76 62.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.308 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.1 t 44.63 45.31 7.91 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.921 0.391 . . . . 0.0 111.382 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -157.46 -172.39 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.819 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 34.0 mm -68.2 128.86 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.782 ' O ' HG21 ' B' ' 105' ' ' ILE . 0.4 OUTLIER -112.37 151.69 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.459 ' HA ' HD13 ' B' ' 105' ' ' ILE . 6.8 ptt-85 -127.74 119.46 25.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 11.3 tt0 58.84 54.31 5.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.706 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 41.4 Cg_endo -67.25 177.15 4.0 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.605 2.204 . . . . 0.0 112.362 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.781 HG13 ' O ' ' B' ' 96' ' ' LYS . 38.4 t -124.64 146.86 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.474 ' O ' HD13 ' B' ' 92' ' ' ILE . 29.3 p -77.32 134.67 38.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.697 HD23 ' CE1' ' B' ' 70' ' ' PHE . 0.5 OUTLIER -58.75 -58.72 7.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.07 -66.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.781 ' O ' HG21 ' B' ' 88' ' ' THR . . . -157.6 40.93 0.53 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.585 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.1 p -123.39 -145.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -131.05 42.43 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 111.077 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.436 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.4 m170 -135.5 137.35 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.608 HG21 ' CD1' ' B' ' 101' ' ' LEU . 3.2 mp -126.01 141.2 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.697 ' CE1' HD23 ' B' ' 63' ' ' LEU . 0.5 OUTLIER -139.25 173.0 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 15.8 m -62.26 -176.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.711 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.505 ' HA ' HG23 ' B' ' 61' ' ' VAL . 53.9 p -102.16 26.37 7.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -148.68 17.58 1.01 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.458 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 7.0 p -133.35 -44.94 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 111.053 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.833 HG22 HG12 ' B' ' 79' ' ' ILE . 12.0 p -62.96 -30.9 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 50.0 m -53.03 -30.71 37.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.43 105.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.821 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 6.5 m 59.32 25.71 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.833 HG12 HG22 ' B' ' 75' ' ' VAL . 0.3 OUTLIER -54.05 -41.52 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.448 -179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.62 69.63 1.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.533 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 58.2 m -163.76 -44.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.833 0.349 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.42 140.64 5.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.363 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 51.7 t -56.76 133.14 78.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.584 0.231 . . . . 0.0 110.978 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.6 -19.37 8.8 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.593 2.195 . . . . 0.0 112.703 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.2 t -91.53 -26.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.323 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 61.3 m -103.22 -22.97 13.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 62.36 38.73 12.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.914 0.388 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.781 HG21 ' O ' ' B' ' 65' ' ' GLY . 0.2 OUTLIER -114.69 142.66 28.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PRO . . . . . 0.65 ' HD2' HG22 ' B' ' 88' ' ' THR . 57.9 Cg_endo -71.69 144.05 43.31 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.442 2.095 . . . . 0.0 112.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.4 113.68 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' TRP . . . . . 0.43 ' CZ3' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -95.21 18.45 12.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.237 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.474 HD13 ' O ' ' B' ' 62' ' ' CYS . 1.8 pt -127.0 92.47 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.29 -29.55 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.08 -177.15 3.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.431 ' HG ' HG21 ' B' ' 61' ' ' VAL . 6.5 tp -100.99 80.91 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.781 ' O ' HG13 ' B' ' 61' ' ' VAL . 8.8 mttt -63.65 176.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.487 HD13 ' O ' ' B' ' 96' ' ' LYS . 24.1 mm -131.72 134.32 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.112 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.14 90.68 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -58.96 -39.28 81.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -69.18 -56.43 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.608 ' CD1' HG21 ' B' ' 69' ' ' ILE . 13.4 mt -60.23 -36.78 78.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.629 ' HA ' HD12 ' B' ' 105' ' ' ILE . 31.3 t0 -56.83 -60.48 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.624 ' O ' HD23 ' B' ' 107' ' ' LEU . 3.1 m -60.63 -31.29 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.74 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.62 ' HG3' HD21 ' B' ' 48' ' ' LEU . 30.2 tpp -60.31 -38.15 82.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.782 HG21 ' O ' ' B' ' 57' ' ' LEU . 5.6 mt -66.22 -44.51 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -30.69 68.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' LEU . . . . . 0.873 HD13 ' HE2' ' B' ' 110' ' ' LYS . 3.9 mm? -66.96 -44.18 81.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.5 t -59.21 -36.02 74.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.796 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 36.5 m -66.98 -32.05 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.781 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' LYS . . . . . 0.873 ' HE2' HD13 ' B' ' 107' ' ' LEU . 23.4 mtmt -60.7 -48.94 79.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.732 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' B' ' 114' ' ' LEU . 1.4 mp -59.86 -35.6 75.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -59.68 -39.09 83.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -74.95 -40.78 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' B' ' 111' ' ' LEU . 4.5 mt -69.47 -31.25 69.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.535 HD12 ' O ' ' B' ' 111' ' ' LEU . 7.4 mt -75.92 -55.13 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -73.22 -31.33 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 60.93 157.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -104.7 123.0 46.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -167.08 165.59 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 13.2 mt -144.35 177.24 8.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 46.2 m -82.18 178.19 8.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.899 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.445 HD22 ' CH2' ' B' ' 34' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.858 0.361 . . . . 0.0 110.808 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.83 ' HB2' HD23 ' A' ' 6' ' ' LEU . 3.5 m 62.2 17.6 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.219 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.47 21.7 5.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.428 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 4' ' ' SER . 2.6 pp -88.33 107.49 18.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.7 39.75 31.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.713 HG12 HD22 ' A' ' 99' ' ' LEU . 21.4 t -99.87 -30.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.14 -31.61 64.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 14' ' ' VAL . 7.1 mt-10 -66.66 -48.69 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.522 HG22 HD13 ' B' ' 114' ' ' LEU . 23.9 t -58.22 -56.01 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.226 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -49.28 -32.22 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -31.4 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.668 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.5 HG13 HD23 ' B' ' 107' ' ' LEU . 36.9 t -79.3 -30.53 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.978 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.597 HG22 ' CE1' ' A' ' 101' ' ' TYR . 33.4 mm -71.57 -35.82 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -70.9 -51.59 25.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.9 ' HB3' HD21 ' B' ' 107' ' ' LEU . . . -58.44 -29.91 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.981 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.517 ' HA ' HD13 ' B' ' 107' ' ' LEU . 10.1 tpp -68.26 -43.87 76.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.476 HE21 HD13 ' A' ' 30' ' ' LEU . 2.7 tt0 -59.67 -29.53 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -58.44 -42.89 88.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.866 HG21 ' CG ' ' B' ' 104' ' ' MET . 4.7 mp -67.33 -29.45 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.73 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.628 HD12 ' CG2' ' A' ' 83' ' ' VAL . 3.6 mm? -105.65 35.14 2.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -99.61 -169.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.467 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 9.9 t -111.61 138.71 21.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.931 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -93.69 11.6 1.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.96 2.44 . . . . 0.0 114.042 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.778 HD11 ' SG ' ' A' ' 47' ' ' CYS . 2.1 pp -138.97 -52.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.7 ' N ' HD12 ' A' ' 26' ' ' ILE . 25.5 p -106.0 -3.98 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 60.6 31.95 20.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.581 0.229 . . . . 0.0 111.358 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.5 mm-40 -111.62 124.75 52.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.623 0.249 . . . . 0.0 110.751 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.476 HD13 HE21 ' A' ' 19' ' ' GLN . 11.5 tp -38.11 101.78 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.479 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.827 HG22 ' SG ' ' A' ' 44' ' ' CYS . 28.4 pt -53.69 138.46 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.618 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -108.76 -44.95 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -107.58 77.55 0.61 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.39 120.24 7.97 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.62 2.213 . . . . 0.0 112.49 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.508 HG23 ' C ' ' A' ' 74' ' ' GLN . 10.6 p -129.24 132.29 67.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 p -81.15 123.16 28.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.417 HG21 ' CD1' ' A' ' 43' ' ' PHE . 77.3 p -91.86 162.89 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' CE ' ' CH2' ' B' ' 91' ' ' TRP . 4.8 tptm -45.96 -28.29 1.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.728 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.6 t -94.02 26.8 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.316 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 52.83 38.67 27.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.342 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.918 ' ND1' HD22 ' A' ' 63' ' ' LEU . 36.3 m-70 -115.47 158.02 23.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.663 HD11 HH22 ' A' ' 78' ' ' ARG . 42.5 mm -100.49 155.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.406 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 33.0 m-85 -152.33 -177.53 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.608 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.827 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.2 m -102.45 22.95 12.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.915 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? 69.27 -65.27 0.3 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -56.35 -34.41 66.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.778 ' SG ' HD11 ' A' ' 26' ' ' ILE . 25.6 m -58.23 -33.76 69.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.824 ' HG3' HD13 ' A' ' 73' ' ' LEU . 3.4 mmt -70.9 -34.16 71.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.05 -44.62 91.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.786 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -40.15 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.747 HD23 ' OG ' ' A' ' 59' ' ' SER . 6.6 tp -64.45 -30.56 71.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.529 HD13 ' HD3' ' A' ' 70' ' ' LYS . 7.8 mt -94.07 -29.04 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -65.53 -31.07 71.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.12 132.31 53.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.1 70.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.53 18.25 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.93 -154.33 49.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.546 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.693 ' HB3' HG22 ' A' ' 69' ' ' THR . 82.0 Cg_exo -45.42 141.04 7.87 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.748 2.299 . . . . 0.0 112.609 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.747 ' OG ' HD23 ' A' ' 51' ' ' LEU . 5.4 t -57.6 154.14 11.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -118.25 107.37 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.502 ' CB ' HD11 ' A' ' 68' ' ' ILE . 25.2 t -51.42 107.0 0.72 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.204 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.91 -9.09 25.02 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.37 2.047 . . . . 0.0 112.444 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.918 HD22 ' ND1' ' A' ' 41' ' ' HIS . 3.6 mp -77.95 -36.52 49.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.046 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.8 p -115.81 -52.76 2.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.849 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.84 -35.91 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.302 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.433 ' HA ' ' N ' ' A' ' 61' ' ' CYS . 18.5 p30 -178.27 -155.83 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.834 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 16.4 t70 82.8 68.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.947 0.403 . . . . 0.0 111.686 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.502 HD11 ' CB ' ' A' ' 61' ' ' CYS . 20.5 mt -157.05 142.94 9.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.816 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.693 HG22 ' HB3' ' A' ' 58' ' ' PRO . 31.0 p -144.95 165.69 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.529 ' HD3' HD13 ' A' ' 52' ' ' LEU . 1.5 mmtp -60.18 -65.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.767 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -73.85 64.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 m -147.4 -66.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.824 HD13 ' HG3' ' A' ' 48' ' ' MET . 0.4 OUTLIER -58.3 163.68 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.985 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.508 ' C ' HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -169.09 130.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.87 100.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.1 m -95.57 -25.21 16.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.465 ' O ' HG22 ' A' ' 77' ' ' THR . 95.2 m 62.59 67.09 0.73 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.663 HH22 HD11 ' A' ' 42' ' ' ILE . 11.4 ttp-105 -112.17 -36.78 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.76 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.756 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 m-85 -104.79 30.25 5.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.763 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.3 p -84.31 -63.31 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -58.4 -29.81 66.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.599 HD22 ' SD ' ' B' ' 104' ' ' MET . 19.9 mt -65.61 -31.42 72.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 79' ' ' PHE . 34.9 t -83.52 -46.37 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.48 -46.23 80.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' B' ' 47' ' ' LEU . 5.9 mm-40 -59.78 -49.94 75.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.485 HD13 ' HG2' ' A' ' 18' ' ' MET . 14.3 tp -51.03 -44.8 61.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.991 0.424 . . . . 0.0 111.005 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.645 ' HA ' HD12 ' A' ' 90' ' ' ILE . 13.9 mt -55.11 -38.4 68.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.23 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -26.2 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.096 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.786 HG12 ' HB1' ' B' ' 40' ' ' ALA . 43.8 mt -69.9 -42.32 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 87' ' ' LEU . 3.6 mt -65.88 -34.43 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.049 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.52 -41.31 98.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.691 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -65.44 -35.89 82.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -59.14 -54.48 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.88 -30.15 70.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -40.17 84.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -98.34 -72.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.698 ' HB ' HD13 ' A' ' 99' ' ' LEU . 11.5 p -60.24 -52.74 63.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.41 27.5 43.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.594 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.713 HD22 HG12 ' A' ' 8' ' ' VAL . 10.5 mp -89.03 161.49 16.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.49 149.64 48.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.597 ' CE1' HG22 ' A' ' 15' ' ' ILE . 24.7 t80 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.836 0.351 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.464 ' HB3' HD23 ' B' ' 115' ' ' LEU . 22.6 m95 59.44 30.18 19.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.06 -51.96 10.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.691 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -62.26 -31.3 71.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.403 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 2.8 t -68.87 -36.32 77.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.68 ' HD2' HD13 ' B' ' 115' ' ' LEU . 0.6 OUTLIER -60.37 -45.01 95.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.87 73.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.786 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -68.02 -38.4 82.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' B' ' 111' ' ' LEU . 13.3 tp -59.97 -50.18 74.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.52 -37.63 76.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -61.86 -52.23 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.823 HD23 ' O ' ' B' ' 44' ' ' LEU . 5.3 tt -64.32 -32.92 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.39 -37.45 80.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.981 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -30.77 67.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.422 HD12 HD23 ' A' ' 82' ' ' LEU . 13.3 mt -79.55 -12.79 59.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.288 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -109.93 -26.01 9.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.713 0.292 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -51.38 119.23 3.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.117 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 0.682 ' HB2' HD23 ' B' ' 57' ' ' LEU . 54.1 t -58.49 156.51 10.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -82.69 -38.42 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.4 -56.27 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.407 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.0 m -72.31 -9.62 58.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.369 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.52 41.02 4.35 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.954 0.407 . . . . 0.0 111.427 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.92 176.88 10.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.572 ' H ' HD12 ' B' ' 56' ' ' ILE . 4.0 mp -57.73 134.95 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.804 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.811 HD13 ' HG3' ' B' ' 60' ' ' PRO . 0.3 OUTLIER -110.34 176.87 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.745 ' HA ' HD13 ' B' ' 105' ' ' ILE . 0.1 OUTLIER -142.31 118.79 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.549 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 33.7 tt0 53.27 52.58 10.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.51 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.811 ' HG3' HD13 ' B' ' 57' ' ' LEU . 61.1 Cg_endo -72.84 -173.78 1.32 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.632 2.221 . . . . 0.0 112.633 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 96' ' ' LYS . 7.3 p -126.69 144.5 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.804 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 44.5 t -61.0 -99.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.632 ' HG ' HG21 ' B' ' 75' ' ' VAL . 1.1 tm? 76.59 -52.64 0.59 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.813 0.34 . . . . 0.0 111.035 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.56 73.92 0.23 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.76 -25.0 14.31 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.653 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -87.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.394 0.14 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -155.69 23.21 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.654 0.264 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.43 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 8.5 m80 -111.5 158.12 19.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 111.001 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.723 HD13 HD11 ' B' ' 101' ' ' LEU . 7.4 mt -150.17 147.03 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' B' ' 51' ' ' SER . 0.1 OUTLIER -143.89 170.75 15.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.454 ' O ' HG12 ' B' ' 61' ' ' VAL . 5.4 m -67.96 176.53 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.721 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.9 m -94.32 22.67 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.77 19.17 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.199 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 10.0 m -127.57 -46.58 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.849 HG22 HD13 ' B' ' 79' ' ' ILE . 10.0 p -67.57 -30.12 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.021 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -24.89 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.263 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -94.77 25.25 4.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.054 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.02 32.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.76 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.849 HD13 HG22 ' B' ' 75' ' ' VAL . 17.6 mm -78.1 -26.52 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.236 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.07 42.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.681 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 80.9 m -107.98 -70.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.75 -113.84 0.64 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.6 t -91.02 134.15 30.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.571 0.224 . . . . 0.0 110.792 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.61 -12.9 18.35 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.474 2.116 . . . . 0.0 112.905 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.43 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 21.7 t -107.15 -67.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 111.345 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 87.4 m -65.68 -15.84 63.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 61.85 21.33 12.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.721 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.484 HG23 ' HD2' ' B' ' 89' ' ' PRO . 85.0 m -77.74 139.7 62.7 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.779 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . 0.484 ' HD2' HG23 ' B' ' 88' ' ' THR . 44.4 Cg_endo -68.24 143.81 60.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.435 2.09 . . . . 0.0 112.258 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.454 ' HB1' HD21 ' B' ' 63' ' ' LEU . . . -60.02 144.73 48.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.065 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . 0.45 ' CH2' ' CE ' ' A' ' 38' ' ' LYS . 16.5 t90 -108.73 -23.77 11.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 pt -111.04 115.0 48.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -69.19 -41.46 77.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.16 146.44 23.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.66 78.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.57 ' O ' HG23 ' B' ' 61' ' ' VAL . 71.9 mttt -71.74 172.12 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.48 HG22 ' N ' ' B' ' 98' ' ' ASN . 25.9 mm -129.7 158.74 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . 0.48 ' N ' HG22 ' B' ' 97' ' ' ILE . 2.9 m-80 -121.27 97.99 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -60.06 -31.26 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' A' ' 21' ' ' ILE . 1.3 mm-40 -62.69 -64.29 0.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.723 HD11 HD13 ' B' ' 69' ' ' ILE . 19.1 mt -57.79 -33.2 68.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.704 ' HA ' HD12 ' B' ' 105' ' ' ILE . 62.0 t0 -63.32 -47.99 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -31.36 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.763 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.866 ' CG ' HG21 ' A' ' 21' ' ' ILE . 2.5 mtp -62.94 -37.85 88.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.745 HG21 ' O ' ' B' ' 57' ' ' LEU . 6.5 mt -64.92 -49.52 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -43.33 83.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.9 HD21 ' HB3' ' A' ' 17' ' ' ALA . 2.6 mt -62.25 -44.64 96.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.32 -34.96 72.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -61.26 -39.1 89.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.635 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.743 ' CE ' HD23 ' B' ' 107' ' ' LEU . 1.5 mtpp -57.51 -59.15 5.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.72 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.555 ' CB ' HD13 ' B' ' 41' ' ' LEU . 5.3 mt -48.96 -35.83 16.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.073 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . 0.405 ' HA ' HD12 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -58.4 -39.9 80.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -76.59 -35.37 58.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' B' ' 111' ' ' LEU . 55.4 mt -59.76 -38.52 82.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.68 HD13 ' HD2' ' B' ' 38' ' ' ARG . 1.0 OUTLIER -75.43 -38.53 59.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -68.78 -41.38 78.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.94 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.845 HD11 ' CZ2' ' B' ' 34' ' ' TRP . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.945 0.403 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 76.42 1.99 3.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.621 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.96 23.58 6.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.73 0.3 . . . . 0.0 111.454 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.718 HD21 HD12 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -52.25 -29.51 23.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.194 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.404 ' O ' ' CZ2' ' B' ' 34' ' ' TRP . 5.6 ttt180 -179.1 74.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.533 HG12 HD22 ' A' ' 99' ' ' LEU . 30.3 t -107.84 -46.04 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.84 -33.92 72.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 14' ' ' VAL . 58.8 mm-40 -68.27 -55.46 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.552 HG13 ' CD2' ' B' ' 111' ' ' LEU . 25.0 t -58.53 -39.85 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -44.28 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.061 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.54 -30.07 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.562 ' O ' HD12 ' B' ' 107' ' ' LEU . 25.1 t -67.79 -30.0 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.22 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.408 ' CG2' HG12 ' A' ' 90' ' ' ILE . 10.2 mm -79.35 -36.15 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -65.02 -52.36 56.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.892 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.04 -43.78 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.553 ' SD ' HD13 ' B' ' 44' ' ' LEU . 12.8 ttm -56.4 -48.13 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' N ' HD21 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -59.25 -36.26 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.868 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -62.47 -32.77 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.783 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 18' ' ' MET . 32.9 mt -68.64 -30.63 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.782 HD22 ' CD1' ' A' ' 79' ' ' PHE . 5.5 mt -111.45 30.39 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.666 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -87.18 -165.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 11.7 t -112.06 138.79 21.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.005 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -93.72 12.81 1.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 123.012 2.475 . . . . 0.0 114.08 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 27' ' ' CYS . 2.5 pp -141.3 -51.76 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.731 ' N ' HD12 ' A' ' 26' ' ' ILE . 23.5 p -106.56 -3.65 20.55 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 59.28 33.29 22.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.355 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.6 mm-40 -111.94 127.19 55.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.618 0.247 . . . . 0.0 110.795 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 30' ' ' LEU . 11.9 tp -38.66 99.51 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.962 0.411 . . . . 0.0 111.264 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.836 HG22 ' SG ' ' A' ' 44' ' ' CYS . 28.8 pt -49.15 132.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.845 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -103.07 -46.18 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.293 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -107.24 74.61 0.41 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.153 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HG3' ' CA ' ' A' ' 80' ' ' SER . 13.8 Cg_endo -56.95 126.67 22.98 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.804 2.336 . . . . 0.0 112.738 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 27.6 m -126.03 176.7 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.453 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 p -127.2 114.49 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.551 HG21 ' CE1' ' A' ' 43' ' ' PHE . 7.8 p -84.12 158.96 21.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HA ' ' CZ3' ' B' ' 91' ' ' TRP . 17.9 tttt -47.5 -26.41 1.39 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.643 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.5 t -91.23 23.83 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 111.361 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 54.97 34.97 23.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.229 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.862 ' ND1' HD22 ' A' ' 63' ' ' LEU . 26.5 m-70 -107.87 161.97 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 40.0 mm -109.07 147.99 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 111.629 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.551 ' CE1' HG21 ' A' ' 37' ' ' THR . 37.7 m-85 -147.03 -177.64 5.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.836 ' SG ' HG22 ' A' ' 31' ' ' ILE . 5.5 m -100.47 29.64 4.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.623 ' NZ ' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER 69.15 -69.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -26.94 68.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.388 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.727 ' SG ' HD11 ' A' ' 26' ' ' ILE . 68.1 m -52.07 -29.07 19.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.769 0.319 . . . . 0.0 111.127 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.788 ' HE1' HD13 ' A' ' 68' ' ' ILE . 43.0 mmm -77.56 -32.01 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -52.76 47.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -39.55 74.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.728 HD23 ' HB3' ' A' ' 59' ' ' SER . 6.7 tp -60.05 -30.5 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 48' ' ' MET . 4.1 mt -74.78 -30.97 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -90.44 -30.71 17.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -59.16 -31.57 69.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -123.56 135.97 54.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -59.55 111.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.46 -156.76 15.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -51.51 176.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.59 2.194 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.728 ' HB3' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -71.32 -39.6 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.52 104.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 t -52.56 108.93 1.21 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.48 -9.14 25.23 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.332 2.021 . . . . 0.0 112.45 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.862 HD22 ' ND1' ' A' ' 41' ' ' HIS . 3.3 mp -82.09 -31.24 30.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.124 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.3 m -117.47 -61.81 1.65 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.882 0.372 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.79 -30.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.49 138.92 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.89 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.34 39.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.788 HD13 ' HE1' ' A' ' 48' ' ' MET . 6.3 mt -151.39 153.35 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -162.03 67.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mttt 63.25 -79.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -87.16 55.28 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.404 ' HB2' HG23 ' A' ' 68' ' ' ILE . 4.3 m -111.27 -51.47 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.623 HD11 ' NZ ' ' A' ' 45' ' ' LYS . 1.1 pt? -75.59 -174.31 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -151.86 130.88 12.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HA ' HG12 ' A' ' 35' ' ' VAL . 9.2 tt0 -74.16 136.29 42.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -168.02 -175.47 2.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.3 m -127.76 92.79 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' HG2' HD11 ' B' ' 69' ' ' ILE . 4.9 ttm105 -127.47 -53.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.782 ' CD1' HD22 ' A' ' 22' ' ' LEU . 2.2 m-85 -98.34 28.53 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.4 ' CA ' ' HG3' ' A' ' 34' ' ' PRO . 28.9 t -90.69 -62.27 1.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.71 ' HB2' HD11 ' B' ' 47' ' ' LEU . 6.3 mt-30 -57.61 -28.82 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.641 HD22 ' SD ' ' B' ' 104' ' ' MET . 3.3 mt -67.77 -33.08 74.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 79' ' ' PHE . 38.1 t -77.47 -41.68 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.51 -47.7 66.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.789 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -39.55 79.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' A' ' 89' ' ' ILE . 13.3 tp -59.92 -45.28 93.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.734 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.831 ' HA ' HD12 ' A' ' 90' ' ' ILE . 7.2 tp -55.92 -31.97 63.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.78 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -73.42 -33.01 64.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 86' ' ' LEU . 29.5 mt -68.62 -34.84 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 87' ' ' LEU . 3.9 mt -71.69 -44.18 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.2 m -58.99 -34.46 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.804 ' HB1' ' ND1' ' B' ' 36' ' ' HIS . . . -68.04 -38.59 82.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.042 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.471 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 9.4 t80 -58.61 -49.22 78.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -64.57 -27.41 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -50.4 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.573 ' OD2' HD22 ' A' ' 3' ' ' LEU . 9.8 t70 -93.32 -66.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.841 HG22 HD21 ' A' ' 3' ' ' LEU . 10.6 p -60.19 -57.23 13.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.39 28.08 31.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.603 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.675 HD13 ' HB ' ' A' ' 97' ' ' THR . 10.1 mp -87.3 162.03 17.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -69.29 176.37 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.756 ' CD2' HG21 ' A' ' 90' ' ' ILE . 86.3 t80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.88 0.372 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.845 ' CZ2' HD11 ' A' ' 3' ' ' LEU . 21.9 m95 60.23 31.34 20.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.73 -50.34 8.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.804 ' ND1' ' HB1' ' A' ' 92' ' ' ALA . 9.5 p80 -60.02 -29.68 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.995 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.604 ' OG ' HD21 ' B' ' 115' ' ' LEU . 29.1 t -71.87 -35.71 69.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.455 ' HG3' HD22 ' B' ' 115' ' ' LEU . 68.0 mtp180 -60.19 -42.14 94.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.09 64.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.625 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -59.86 -42.01 92.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.505 HD13 ' CB ' ' B' ' 111' ' ' LEU . 5.1 tp -59.57 -41.62 90.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.22 -31.49 70.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -64.08 -46.72 83.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.573 HD21 ' SD ' ' B' ' 104' ' ' MET . 8.3 tt -67.84 -32.91 73.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.74 -39.58 85.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.7 -30.84 67.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 81' ' ' GLN . 3.8 mm? -74.23 -31.28 62.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.656 HD23 HG12 ' B' ' 105' ' ' ILE . 3.9 mp -88.76 -22.55 23.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.54 117.54 2.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 0.614 ' HB2' HD23 ' B' ' 57' ' ' LEU . 50.5 t -56.86 155.41 7.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -37.61 41.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -86.3 -56.79 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.4 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.1 m -67.27 -14.42 62.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.299 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.47 37.01 1.87 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.803 0.335 . . . . 0.0 111.299 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -159.05 -171.76 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.779 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -59.32 126.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.83 ' O ' HD13 ' B' ' 105' ' ' ILE . 0.4 OUTLIER -107.55 -178.72 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.1 125.22 9.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.1 tp10 54.79 52.39 8.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.485 ' HG3' HD13 ' B' ' 57' ' ' LEU . 71.7 Cg_endo -76.89 179.62 6.32 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.532 2.155 . . . . 0.0 112.584 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.617 HG22 ' O ' ' B' ' 96' ' ' LYS . 21.2 t -124.07 152.81 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.047 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.43 -77.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.619 HD22 HD11 ' B' ' 92' ' ' ILE . 0.2 OUTLIER 76.56 107.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.812 -179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.409 ' CA ' HG22 ' B' ' 88' ' ' THR . . . 75.71 -66.44 2.4 Favored Glycine 0 C--N 1.318 -0.466 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.633 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.13 56.31 0.84 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -122.04 -86.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.62 0.248 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -157.4 23.93 0.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 110.982 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.433 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 32.7 m170 -132.53 115.42 15.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.964 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.538 HG21 HD13 ' B' ' 101' ' ' LEU . 3.3 mp -119.95 145.83 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -136.56 176.41 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.8 p -92.43 156.18 17.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.6 t -58.64 -20.59 49.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.28 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -94.16 19.59 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.485 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 8.3 m -141.87 -53.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.819 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.926 HG22 ' CD1' ' B' ' 79' ' ' ILE . 13.1 p -59.3 -29.98 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 5.8 m -54.04 -23.93 15.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.285 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -94.01 25.15 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 5.6 t -163.69 30.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.926 ' CD1' HG22 ' B' ' 75' ' ' VAL . 12.5 mm -91.4 160.94 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . 0.467 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 98.51 -34.61 5.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.092 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -95.48 -63.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.623 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . 0.421 ' HA2' ' HB2' ' B' ' 90' ' ' ALA . . . 145.25 -114.34 0.76 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.354 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.8 t -121.16 134.31 24.39 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.618 0.247 . . . . 0.0 110.766 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.13 -11.75 13.35 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.611 2.207 . . . . 0.0 113.036 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.433 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 21.2 t -106.85 -67.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 111.378 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 93.8 m -64.93 -15.03 61.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 65.43 20.75 11.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.409 HG22 ' CA ' ' B' ' 64' ' ' GLY . 90.7 m -84.71 113.7 50.97 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.761 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.05 142.66 53.34 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.297 1.998 . . . . 0.0 112.245 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.421 ' HB2' ' HA2' ' B' ' 82' ' ' GLY . . . -57.86 89.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . 0.43 ' CZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -56.39 -24.07 42.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.331 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.619 HD11 HD22 ' B' ' 63' ' ' LEU . 1.3 pt -106.78 96.2 4.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -59.2 -33.65 71.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.69 155.86 17.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' B' ' 95' ' ' LEU . 12.1 mt -65.06 80.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.617 ' O ' HG22 ' B' ' 61' ' ' VAL . 19.5 mttm -77.3 169.54 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.446 HD13 ' O ' ' B' ' 96' ' ' LYS . 24.1 mm -131.59 153.92 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.277 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -111.77 87.85 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.663 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -37.72 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.19 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . 0.525 ' O ' HG21 ' A' ' 21' ' ' ILE . 4.8 mm-40 -62.07 -44.15 97.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.824 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.538 HD13 HG21 ' B' ' 69' ' ' ILE . 10.4 mt -69.6 -44.87 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -65.06 -50.67 65.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.8 t -53.77 -33.05 54.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.669 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.737 ' HE3' HD21 ' A' ' 22' ' ' LEU . 23.3 ttm -67.25 -34.88 78.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.552 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.83 HD13 ' O ' ' B' ' 57' ' ' LEU . 36.0 mt -58.11 -45.09 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.597 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.28 -38.32 83.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.453 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.908 HD13 ' CE ' ' B' ' 110' ' ' LYS . 3.7 mm? -66.23 -50.3 64.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.461 ' SG ' HD11 ' B' ' 41' ' ' LEU . 52.8 t -57.97 -36.26 72.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.72 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -35.3 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.63 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.908 ' CE ' HD13 ' B' ' 107' ' ' LEU . 21.5 mtmt -60.52 -50.34 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.671 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.552 ' CD2' HG13 ' A' ' 11' ' ' VAL . 5.2 mt -58.28 -34.17 70.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.61 82.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -79.77 -31.81 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.766 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.51 HD12 ' C ' ' B' ' 110' ' ' LYS . 11.3 mt -71.09 -35.87 71.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' B' ' 34' ' ' TRP . 12.2 mt -71.45 -36.63 71.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -130.44 108.28 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.915 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.57 HD11 ' OD2' ' A' ' 96' ' ' ASP . 1.1 tp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 59.18 26.21 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 62.51 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.43 HD22 ' HE1' ' B' ' 34' ' ' TRP . 0.1 OUTLIER 61.65 -78.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 5' ' ' ALA . 2.4 ttt85 -167.65 33.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 5' ' ' ALA . 21.6 t -59.12 -30.69 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.72 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.809 ' HB3' HD21 ' B' ' 114' ' ' LEU . 1.8 mp0 -59.33 -41.58 89.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.62 HG22 HD23 ' B' ' 114' ' ' LEU . 23.9 t -69.84 -31.09 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.054 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.59 -36.33 82.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -71.88 -31.26 66.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' GLU . 28.1 t -65.66 -55.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.11 -30.05 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.11 -49.12 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -59.8 -42.49 93.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.723 ' HB3' HD21 ' A' ' 86' ' ' LEU . 6.3 ttm -56.8 -47.01 81.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -39.5 86.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -59.81 -36.5 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 18' ' ' MET . 47.3 mt -63.24 -27.77 43.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.8 HD21 ' SD ' ' B' ' 104' ' ' MET . 3.5 mt -114.62 44.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.586 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.41 -174.32 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 9.5 t -104.01 140.41 21.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.546 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.447 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 69.4 Cg_endo -91.99 -10.74 2.31 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.696 2.264 . . . . 0.0 114.773 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.57 HD11 ' CB ' ' A' ' 47' ' ' CYS . 3.1 pt -131.63 -33.71 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.479 ' N ' HG13 ' A' ' 26' ' ' ILE . 16.6 m -101.93 -15.87 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.607 0.241 . . . . 0.0 111.335 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 3.3 mm? 60.24 26.77 16.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.821 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.5 mt-10 -111.5 125.89 54.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 tp -41.2 100.21 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.582 HG22 ' HB3' ' A' ' 44' ' ' CYS . 34.3 pt -50.92 133.43 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.509 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -110.85 -29.98 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -114.31 83.19 8.1 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.748 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HG2' ' N ' ' A' ' 80' ' ' SER . 75.3 Cg_exo -50.13 125.58 15.19 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.591 2.194 . . . . 0.0 112.55 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.5 p -140.63 119.4 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 t -78.65 138.0 38.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.0 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.542 HG21 ' HE1' ' A' ' 48' ' ' MET . 9.8 p -107.05 161.04 15.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HA ' ' CZ3' ' B' ' 91' ' ' TRP . 8.3 tttp -48.94 -26.01 2.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.496 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.8 t -91.65 21.87 4.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 t70 56.4 42.19 27.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.911 ' ND1' HD22 ' A' ' 63' ' ' LEU . 50.2 m-70 -124.15 158.14 33.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.065 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 43' ' ' PHE . 51.5 mm -100.75 157.87 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.325 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' N ' HG22 ' A' ' 42' ' ' ILE . 45.1 m-85 -152.34 -177.21 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.54 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.582 ' HB3' HG22 ' A' ' 31' ' ' ILE . 24.6 p -128.13 45.56 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 111.345 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.62 157.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.656 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.418 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER 75.84 -49.22 0.61 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.102 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.57 ' CB ' HD11 ' A' ' 26' ' ' ILE . 22.8 m -45.59 -29.88 1.33 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.826 0.346 . . . . 0.0 111.189 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.546 ' HE2' HD11 ' A' ' 73' ' ' LEU . 3.1 mmm -78.57 -36.99 43.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.8 mp -66.26 -55.33 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -60.11 -47.09 87.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.36 -30.8 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 48' ' ' MET . 34.4 mt -86.12 -32.13 21.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -77.86 -37.2 48.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -59.88 -31.62 69.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -124.6 115.91 21.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -59.67 104.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.62 -163.15 19.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.592 ' HB3' HG22 ' A' ' 69' ' ' THR . 54.4 Cg_exo -52.05 142.58 43.88 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.434 ' OG ' HG22 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -60.11 -175.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -150.61 105.36 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.7 t -47.78 107.76 0.79 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.301 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.05 -5.17 16.73 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.37 2.047 . . . . 0.0 112.481 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.911 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.1 mp -82.31 -34.15 28.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.011 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 p -118.25 -55.4 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 171.69 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.3 p30 172.12 139.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.63 40.95 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.434 HG22 ' OG ' ' A' ' 59' ' ' SER . 11.3 mt -148.49 150.52 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 58' ' ' PRO . 0.7 OUTLIER -123.48 -179.06 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -80.84 134.16 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? 60.44 78.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.534 ' C ' HD22 ' A' ' 73' ' ' LEU . 2.0 m -174.89 77.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.546 HD11 ' HE2' ' A' ' 48' ' ' MET . 4.2 mm? -123.46 167.21 14.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -136.03 76.38 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.74 102.31 2.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.94 151.19 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -78.49 79.54 4.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.87 ' HG2' HD11 ' B' ' 69' ' ' ILE . 6.7 ttm180 -116.84 -58.67 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.755 ' HA ' HD12 ' A' ' 82' ' ' LEU . 4.3 m-85 -99.15 33.63 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -92.63 -59.09 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.508 ' HB2' HD22 ' B' ' 47' ' ' LEU . 45.7 mt-30 -63.2 -29.88 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.782 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 79' ' ' PHE . 17.4 mt -64.88 -42.22 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.68 HG22 ' HB3' ' A' ' 22' ' ' LEU . 29.6 t -69.8 -43.36 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.04 -48.03 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.79 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -34.38 73.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -59.38 -43.64 92.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.741 ' HA ' HD12 ' A' ' 90' ' ' ILE . 27.3 mt -59.61 -40.39 87.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -63.93 -37.77 88.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 86' ' ' LEU . 15.7 mt -70.01 -30.2 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 86' ' ' LEU . 7.2 mt -78.77 -44.91 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.6 m -59.28 -49.75 76.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.8 83.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.516 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 37.4 t80 -57.99 -51.21 70.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -72.13 -28.34 63.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.0 tp -58.09 -31.49 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.57 ' OD2' HD11 ' A' ' 3' ' ' LEU . 36.0 t0 -105.47 -60.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.691 ' HB ' HD13 ' A' ' 99' ' ' LEU . 21.5 p -59.9 -46.29 89.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.61 24.59 49.69 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.583 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.691 HD13 ' HB ' ' A' ' 97' ' ' THR . 9.2 mp -90.98 164.35 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.337 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.44 148.49 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.543 ' CD2' HG21 ' A' ' 90' ' ' ILE . 8.8 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.766 0.317 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.806 ' HB3' HD23 ' B' ' 115' ' ' LEU . 12.3 m95 60.65 37.19 19.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.58 -55.53 3.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -60.16 -31.36 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.521 ' CB ' HD21 ' B' ' 115' ' ' LEU . 14.8 m -65.94 -40.19 91.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.469 ' HG2' HD13 ' B' ' 115' ' ' LEU . 20.8 mtp180 -60.58 -38.81 85.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.38 -55.18 14.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.24 73.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.526 HD12 ' HB3' ' B' ' 111' ' ' LEU . 8.7 tt -60.5 -48.73 80.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -32.45 71.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -60.64 -39.21 87.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.522 HD13 ' SD ' ' A' ' 18' ' ' MET . 7.1 tt -67.9 -34.28 76.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.07 -41.78 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.6 -22.19 43.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.609 HD12 HD23 ' A' ' 82' ' ' LEU . 12.7 mt -87.49 -20.81 26.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.209 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' B' ' 105' ' ' ILE . 5.8 mp -100.98 -22.7 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.343 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -46.99 124.78 6.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.23 144.4 35.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -28.73 69.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.11 -63.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 26.8 m -57.02 -22.64 40.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t 43.93 65.18 1.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.985 0.421 . . . . 0.0 111.414 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -169.49 -179.17 3.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.405 ' CG2' HG23 ' B' ' 105' ' ' ILE . 34.9 mm -66.77 75.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.841 ' O ' HG21 ' B' ' 105' ' ' ILE . 0.3 OUTLIER -57.2 -179.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.679 ' HA ' HD13 ' B' ' 105' ' ' ILE . 0.0 OUTLIER -152.52 127.09 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.763 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 32.8 tt0 55.19 53.69 9.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.685 ' HB3' HD22 ' B' ' 57' ' ' LEU . 58.0 Cg_endo -71.62 -176.02 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.497 2.131 . . . . 0.0 112.659 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.874 HG13 ' O ' ' B' ' 96' ' ' LYS . 4.9 t -120.23 149.42 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.066 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 10.8 m -73.78 -26.96 60.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.864 HD23 HG21 ' B' ' 75' ' ' VAL . 1.7 tm? 80.88 -51.75 0.31 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.71 -83.37 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.568 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.737 ' O ' HG21 ' B' ' 88' ' ' THR . . . -114.06 36.8 3.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.396 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 53.0 t -133.41 109.11 9.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.371 . . . . 0.0 110.685 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.1 -25.02 4.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.405 ' O ' ' CE1' ' B' ' 70' ' ' PHE . 12.8 m80 -76.52 118.79 19.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.87 HD11 ' HG2' ' A' ' 78' ' ' ARG . 3.2 mp -97.65 141.43 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -130.56 170.09 14.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.75 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 10.7 m -64.8 172.88 2.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.688 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.5 t -95.36 26.26 3.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -145.54 19.68 1.51 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 5.4 m -129.83 -45.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.153 0.501 . . . . 0.0 110.398 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.864 HG21 HD23 ' B' ' 63' ' ' LEU . 9.2 p -79.15 -29.37 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.96 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 24.4 p -51.55 -25.25 6.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.293 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.11 24.96 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -165.66 31.5 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.856 HD13 HG22 ' B' ' 75' ' ' VAL . 14.2 mm -82.42 -26.76 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.84 -27.46 36.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.638 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.9 m -108.18 -65.84 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.71 -116.18 0.73 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.42 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 40.0 t -124.39 112.53 27.86 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.54 0.21 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.66 -14.0 40.07 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.483 2.122 . . . . 0.0 112.475 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 12.9 t -80.58 -68.41 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.748 0.308 . . . . 0.0 111.252 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 31.2 p -77.86 -11.11 59.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.375 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 64.9 38.4 6.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.737 HG21 ' O ' ' B' ' 65' ' ' GLY . 91.4 m -105.17 132.97 20.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.3 143.27 76.37 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.372 2.048 . . . . 0.0 112.254 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.01 120.93 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . 0.423 ' CZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -87.29 -24.67 24.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' B' ' 96' ' ' LYS . 1.3 pt -108.45 105.89 19.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.59 -41.15 89.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -94.66 151.99 18.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' B' ' 95' ' ' LEU . 12.0 tp -65.34 79.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.874 ' O ' HG13 ' B' ' 61' ' ' VAL . 28.7 mttm -68.14 160.22 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.428 HD13 ' O ' ' B' ' 96' ' ' LYS . 27.0 mm -129.24 150.74 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -108.06 94.95 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 22.7 mtt-85 -58.62 -29.52 66.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.07 -59.84 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.719 HD13 HG21 ' B' ' 69' ' ' ILE . 1.5 mt -57.6 -36.77 72.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.737 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.587 ' HA ' HD12 ' B' ' 105' ' ' ILE . 47.1 t0 -63.32 -50.32 70.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.603 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.3 t -61.92 -31.89 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.635 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.8 ' SD ' HD21 ' A' ' 22' ' ' LEU . 4.2 mtp -59.97 -37.0 78.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.732 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.841 HG21 ' O ' ' B' ' 57' ' ' LEU . 10.1 mt -66.83 -45.89 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.19 -31.94 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.705 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -61.8 -48.66 79.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.47 ' SG ' HD21 ' B' ' 41' ' ' LEU . 52.8 t -60.45 -33.06 72.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.9 t -59.76 -39.95 86.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.664 ' O ' HD13 ' B' ' 114' ' ' LEU . 12.9 mtmt -61.97 -53.52 54.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.526 ' HB3' HD12 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -59.86 -36.25 76.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -59.56 -42.77 93.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.91 -34.21 44.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 10' ' ' GLU . 9.7 mp -70.22 -31.27 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.806 HD23 ' HB3' ' B' ' 34' ' ' TRP . 6.7 mt -69.63 -51.06 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -66.64 -74.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.648 HD13 HG22 ' A' ' 97' ' ' THR . 2.0 mp . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.745 0.307 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.414 ' HB2' HD23 ' A' ' 6' ' ' LEU . 57.1 m -54.38 -24.87 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.181 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.669 ' HA ' HG23 ' A' ' 8' ' ' VAL . . . 63.88 19.26 11.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.375 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.471 HD21 ' CZ2' ' B' ' 34' ' ' TRP . 0.7 OUTLIER -64.32 -28.62 69.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.987 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -177.07 47.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.756 HG11 HD11 ' A' ' 99' ' ' LEU . 35.7 t -68.24 -31.04 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.122 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.69 -50.9 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 14' ' ' VAL . 23.5 mm-40 -58.57 -54.0 51.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.729 HG13 HD23 ' B' ' 111' ' ' LEU . 21.6 t -59.79 -31.15 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.48 ' HA ' HD12 ' A' ' 15' ' ' ILE . 13.3 tm0? -72.03 -33.64 68.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.817 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -72.23 -39.33 68.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.76 HG22 ' HE3' ' B' ' 110' ' ' LYS . 20.8 t -59.79 -42.0 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 12' ' ' GLN . 5.5 mt -68.14 -31.25 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.47 -41.77 60.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.996 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -60.98 -54.2 47.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.682 ' HA ' HD12 ' A' ' 21' ' ' ILE . 13.7 ptp -57.37 -32.06 66.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.39 -38.59 84.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -62.37 -30.6 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 18' ' ' MET . 29.9 mt -68.44 -29.32 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.786 HD12 HG22 ' A' ' 83' ' ' VAL . 3.5 mm? -111.87 32.66 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.31 -168.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.466 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 9.5 t -116.21 138.83 24.53 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.952 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 24' ' ' CYS . 63.0 Cg_endo -92.91 11.6 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.943 2.429 . . . . 0.0 113.951 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.78 HD11 ' SG ' ' A' ' 47' ' ' CYS . 1.9 pp -139.22 -53.72 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.657 ' N ' HD12 ' A' ' 26' ' ' ILE . 27.7 p -105.6 -1.61 24.47 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.466 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 58.51 32.03 21.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.514 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 55.8 mt-10 -110.03 123.36 49.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.621 0.248 . . . . 0.0 110.885 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.051 HD12 HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -36.57 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.466 -179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.78 HG22 ' SG ' ' A' ' 44' ' ' CYS . 1.4 pp -53.53 113.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.578 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -39.26 13.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.721 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -102.41 89.24 1.63 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.681 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.03 102.09 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.506 2.137 . . . . 0.0 112.401 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.639 HG21 ' CE ' ' A' ' 45' ' ' LYS . 12.8 p -116.1 125.55 73.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.3 p -81.58 119.58 23.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.056 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.469 HG21 ' CD1' ' A' ' 43' ' ' PHE . 18.1 p -86.01 162.9 18.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.712 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -47.87 -27.4 2.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.542 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 t -94.04 25.3 3.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.215 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 53.59 46.16 26.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 111.211 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.951 ' ND1' HD22 ' A' ' 63' ' ' LEU . 33.8 m-70 -122.89 154.6 38.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.44 ' CG2' HD13 ' A' ' 31' ' ' ILE . 39.8 mm -98.1 149.84 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.379 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 28.3 m-85 -149.67 -176.82 5.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.707 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.78 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.3 m -100.33 22.66 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.056 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.639 ' CE ' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER 68.84 -65.47 0.28 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.023 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.823 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -55.58 -30.15 60.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.78 ' SG ' HD11 ' A' ' 26' ' ' ILE . 25.7 m -57.96 -36.19 72.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.679 ' SD ' HD11 ' A' ' 73' ' ' LEU . 15.1 mmt -62.43 -40.84 97.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 46' ' ' PHE . 5.5 mt -61.33 -55.58 30.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -39.9 95.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 59' ' ' SER . 14.0 tp -64.87 -35.97 82.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 59' ' ' SER . 4.0 mp -78.91 -32.14 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -82.58 -31.0 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -59.6 109.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt 61.24 155.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 132.32 44.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.34 168.31 12.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.29 -173.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.605 2.204 . . . . 0.0 112.395 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.685 ' HB3' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -82.05 -35.89 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 62.56 100.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 t -53.37 108.34 1.08 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.39 4.86 6.25 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.562 2.175 . . . . 0.0 112.919 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.951 HD22 ' ND1' ' A' ' 41' ' ' HIS . 2.1 mp -98.42 -34.03 10.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.714 0.292 . . . . 0.0 111.228 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.8 m -113.39 -81.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.101 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -177.56 63.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.987 0.422 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 64.86 134.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.72 39.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.565 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 69' ' ' THR . 6.9 mt -148.39 163.44 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.602 ' O ' HD21 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -155.87 -58.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.508 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -177.93 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.053 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? -69.32 74.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.666 ' C ' HD22 ' A' ' 73' ' ' LEU . 2.6 m -176.95 36.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.679 HD11 ' SD ' ' A' ' 48' ' ' MET . 3.9 mm? -121.99 142.04 50.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -151.68 99.98 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.13 100.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.1 p -99.83 156.41 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 77' ' ' THR . 90.5 m -103.57 64.76 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.682 ' HG2' HD11 ' B' ' 69' ' ' ILE . 4.9 mtm105 -114.73 -44.66 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.725 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.694 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.3 m-85 -104.68 31.43 4.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 p -86.32 -58.44 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.487 ' HB2' HD11 ' B' ' 47' ' ' LEU . 9.1 mm-40 -67.78 -31.25 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 79' ' ' PHE . 66.6 mt -59.75 -40.85 89.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.051 HG13 HD12 ' A' ' 30' ' ' LEU . 42.8 t -70.91 -51.57 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.01 -44.31 93.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -58.97 -38.63 79.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.816 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.4 -39.56 83.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.561 HD21 ' HG ' ' A' ' 30' ' ' LEU . 3.5 mm? -59.83 -41.57 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -64.2 -32.42 73.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.816 HD12 ' HA ' ' A' ' 86' ' ' LEU . 17.4 mt -72.82 -42.11 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.818 HD13 ' CE2' ' A' ' 101' ' ' TYR . 31.2 mt -74.63 -42.21 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 36.6 m -60.39 -37.64 81.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.728 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -69.77 -36.95 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.3 -51.88 67.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -60.41 -31.17 70.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.77 -31.29 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.487 ' CB ' HD11 ' A' ' 3' ' ' LEU . 3.5 t0 -104.88 -69.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.648 HG22 HD13 ' A' ' 3' ' ' LEU . 32.2 p -65.83 -41.83 91.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 64.34 26.47 70.65 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.548 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.756 HD11 HG11 ' A' ' 8' ' ' VAL . 12.6 mt -82.11 152.38 26.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.744 0.307 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.2 132.89 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.818 ' CE2' HD13 ' A' ' 90' ' ' ILE . 3.2 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.885 0.374 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.808 ' HB3' HD23 ' B' ' 115' ' ' LEU . 1.6 m95 61.5 38.24 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.16 -64.35 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.728 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -62.92 -31.47 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -69.35 -31.61 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.448 ' NH2' ' CE1' ' B' ' 116' ' ' HIS . 0.1 OUTLIER -66.32 -41.91 88.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -53.5 52.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.432 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -59.81 -32.38 70.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.074 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.694 HD22 ' CD1' ' B' ' 115' ' ' LEU . 14.7 tp -59.9 -46.05 90.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -61.53 -34.88 76.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -60.08 -36.03 76.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' B' ' 48' ' ' LEU . 2.0 tt -70.53 -41.42 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.69 -30.35 67.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.79 -22.0 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.506 ' CB ' HD21 ' A' ' 82' ' ' LEU . 3.3 mm? -92.57 -25.81 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.51 ' CD2' HD23 ' B' ' 44' ' ' LEU . 3.7 mm? -84.54 -28.77 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.199 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 122.19 8.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.052 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 0.62 ' HB2' HD23 ' B' ' 57' ' ' LEU . 43.9 t -58.95 156.39 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.45 ' CB ' ' CE2' ' B' ' 70' ' ' PHE . 0.4 OUTLIER -81.86 -36.44 28.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.438 ' HD3' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -94.37 -63.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.786 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.404 ' O ' ' CG2' ' B' ' 54' ' ' THR . 21.7 m -59.81 -19.42 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.222 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 4.7 t 44.32 67.21 0.71 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 111.431 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -177.5 -174.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 33.9 mm -67.96 127.58 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.009 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.778 ' O ' HD13 ' B' ' 105' ' ' ILE . 0.4 OUTLIER -112.85 172.27 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.455 ' HA ' HD13 ' B' ' 105' ' ' ILE . 0.0 OUTLIER -142.77 119.17 10.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.741 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 3.6 tt0 57.56 53.34 6.09 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.618 ' HG3' HD13 ' B' ' 57' ' ' LEU . 60.8 Cg_endo -72.74 -168.38 0.4 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.625 2.217 . . . . 0.0 112.458 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.504 HG13 ' O ' ' B' ' 96' ' ' LYS . 30.9 t -136.51 152.1 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 17.8 p -98.09 125.34 43.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.747 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.475 HD23 ' CG1' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -58.96 -67.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.061 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -146.86 -99.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.38 49.22 0.86 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.3 p -122.75 -146.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -114.89 -30.68 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -59.9 123.9 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.682 HD11 ' HG2' ' A' ' 78' ' ' ARG . 3.6 mt -127.16 147.77 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.002 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 1.3 m-85 -140.82 162.73 34.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 13.8 p -71.62 163.01 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.6 t -69.41 70.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -178.98 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 98.0 m -64.28 -46.95 81.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.475 ' CG1' HD23 ' B' ' 63' ' ' LEU . 35.5 m -76.7 -32.48 20.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.26 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.443 ' HA ' HD11 ' B' ' 95' ' ' LEU . 25.2 t -48.06 -28.49 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.341 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.29 -49.39 64.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 12.3 p -137.36 56.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.649 HD11 ' CD1' ' B' ' 92' ' ' ILE . 0.6 OUTLIER -95.62 139.7 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.404 179.813 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . 0.443 ' N ' HG13 ' B' ' 79' ' ' ILE . . . 112.4 -29.65 8.14 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.809 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -75.24 -28.93 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' B' ' 89' ' ' PRO . . . 106.71 139.66 9.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.401 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 43.8 t -56.45 127.06 71.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.506 0.193 . . . . 0.0 111.047 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.05 -17.62 11.83 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.47 2.113 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.72 -66.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 31.8 p -76.4 -6.6 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.394 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 62.33 34.28 15.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 18.3 m -109.94 138.25 20.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . 0.402 ' HA ' ' HA3' ' B' ' 82' ' ' GLY . 64.6 Cg_endo -73.64 144.49 35.67 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.454 2.103 . . . . 0.0 112.372 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.56 95.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.99 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -57.23 -23.29 46.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.268 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.649 ' CD1' HD11 ' B' ' 79' ' ' ILE . 1.5 pt -102.01 93.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.15 -30.46 69.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -99.22 161.07 13.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' B' ' 76' ' ' SER . 4.3 mm? -71.85 72.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.642 ' HD2' HG22 ' B' ' 92' ' ' ILE . 9.4 mttp -69.37 175.74 3.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.473 HG22 ' N ' ' B' ' 98' ' ' ASN . 22.2 mm -132.66 158.88 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.188 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . 0.473 ' N ' HG22 ' B' ' 97' ' ' ILE . 9.6 m120 -113.57 84.94 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -30.47 66.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.033 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -69.01 -45.44 70.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' B' ' 101' ' ' LEU . 12.4 mt -71.29 -32.41 68.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.827 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.539 ' HA ' HD12 ' B' ' 105' ' ' ILE . 40.3 t0 -61.44 -53.39 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . 0.512 ' O ' HD23 ' B' ' 107' ' ' LEU . 0.3 OUTLIER -63.24 -30.33 71.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.626 ' HG2' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -59.18 -43.42 92.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.778 HD13 ' O ' ' B' ' 57' ' ' LEU . 4.7 mt -62.64 -49.9 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -30.29 68.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.996 HD11 ' HB3' ' A' ' 17' ' ' ALA . 2.4 mm? -68.9 -51.18 42.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -31.4 69.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -65.65 -38.22 88.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.76 ' HE3' HG22 ' A' ' 14' ' ' VAL . 27.6 mtmt -60.44 -50.28 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' B' ' 114' ' ' LEU . 13.3 mt -59.95 -35.55 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -58.86 -42.85 90.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -73.96 -31.19 62.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' B' ' 111' ' ' LEU . 8.2 mt -74.31 -44.74 51.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' B' ' 34' ' ' TRP . 4.5 mt -60.35 -50.6 72.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . 0.448 ' CE1' ' NH2' ' B' ' 38' ' ' ARG . 10.8 m-70 -80.31 -31.04 38.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 t0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.622 HD21 ' HB1' ' B' ' 33' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.477 ' HB2' HD23 ' A' ' 6' ' ' LEU . 0.7 OUTLIER 62.39 18.57 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.082 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.92 22.64 5.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.739 0.304 . . . . 0.0 111.416 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 6' ' ' LEU . 2.8 pp -87.95 109.42 19.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 56.26 30.66 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.46 -30.78 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.98 -47.44 62.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.712 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.4 mp0 -58.65 -55.93 28.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.88 HG22 HD13 ' B' ' 114' ' ' LEU . 32.8 t -58.92 -32.35 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.85 -44.09 97.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -71.91 -34.39 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.773 HG13 HD23 ' B' ' 107' ' ' LEU . 39.9 t -59.81 -58.64 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.596 HD11 HG12 ' A' ' 11' ' ' VAL . 5.1 mt -55.56 -34.2 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -68.37 -35.56 77.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.711 ' HB3' HD21 ' B' ' 107' ' ' LEU . . . -70.66 -35.66 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.717 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.79 ' HB3' HD11 ' A' ' 86' ' ' LEU . 7.0 tpp -61.61 -35.72 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.31 -39.75 78.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.853 HD13 ' HG2' ' B' ' 104' ' ' MET . 55.5 mt -59.08 -42.66 87.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.72 HD23 ' CD2' ' A' ' 79' ' ' PHE . 1.2 mp -107.57 40.38 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -92.11 -178.27 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 8.8 t -99.27 139.58 21.05 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.468 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 62.4 Cg_endo -92.79 -12.53 1.58 Allowed 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.739 2.293 . . . . 0.0 114.602 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.842 HD11 ' HA ' ' A' ' 47' ' ' CYS . 4.0 pt -129.39 -34.95 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.519 ' N ' HG13 ' A' ' 26' ' ' ILE . 21.4 m -98.63 -18.87 17.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.759 0.314 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.428 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 2.1 mm? 62.08 26.73 16.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.778 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.7 mm-40 -113.76 127.13 55.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.758 HD11 HG13 ' A' ' 83' ' ' VAL . 22.0 tp -38.91 101.82 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 111.428 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 44' ' ' CYS . 40.4 pt -51.72 134.91 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.617 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.19 -38.24 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.634 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -114.53 81.77 7.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.521 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.403 ' HG2' ' N ' ' A' ' 80' ' ' SER . 71.6 Cg_exo -48.59 137.2 26.4 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.753 2.302 . . . . 0.0 112.781 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.407 HG22 ' HD3' ' A' ' 45' ' ' LYS . 4.8 t -138.08 126.31 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.826 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 p -93.99 109.68 21.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.599 HG21 ' CE2' ' A' ' 43' ' ' PHE . 5.2 p -75.44 159.68 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HD3' ' CD1' ' B' ' 91' ' ' TRP . 11.4 mmtt -49.55 -26.37 3.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.468 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.7 m -92.63 21.79 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 t0 57.13 53.16 8.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.351 . . . . 0.0 111.18 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.941 ' ND1' HD22 ' A' ' 63' ' ' LEU . 89.2 m-70 -125.62 147.68 49.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.884 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.403 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 41.7 mm -94.87 152.02 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.066 0.46 . . . . 0.0 111.386 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.599 ' CE2' HG21 ' A' ' 37' ' ' THR . 71.7 m-85 -157.19 -177.73 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.732 ' HB3' HG22 ' A' ' 31' ' ' ILE . 19.8 p -116.48 31.72 6.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.795 0.331 . . . . 0.0 110.975 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HD3' HG22 ' A' ' 35' ' ' VAL . 3.5 mmmm 69.18 -64.34 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.535 ' HA ' HD12 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -47.57 -29.16 2.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.842 ' HA ' HD11 ' A' ' 26' ' ' ILE . 85.8 m -62.95 -38.06 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.0 mmt -63.89 -31.27 72.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 46' ' ' PHE . 18.5 mt -66.79 -58.62 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -64.56 -36.02 82.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tp -70.65 -31.29 68.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 59' ' ' SER . 29.7 mt -79.88 -41.97 25.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -93.42 1.64 56.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.404 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.787 0.327 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -88.73 -78.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -179.98 132.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.91 -155.87 35.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.59 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.68 153.54 5.48 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.663 2.242 . . . . 0.0 112.439 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.618 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -60.61 -169.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.782 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -152.09 99.1 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.004 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.6 t -46.57 104.86 0.43 Allowed Pre-proline 0 CA--C 1.53 0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.236 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.44 -3.69 14.24 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.456 2.104 . . . . 0.0 112.766 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.941 HD22 ' ND1' ' A' ' 41' ' ' HIS . 5.0 mp -93.45 -25.66 17.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.727 0.298 . . . . 0.0 111.302 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 96.1 m -119.86 -81.94 0.64 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.081 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.9 61.62 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.965 0.412 . . . . 0.0 110.756 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 63.97 133.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.2 41.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 69' ' ' THR . 20.6 mt -140.16 159.41 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.263 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -133.71 -174.24 3.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -67.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.25 93.33 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -160.8 29.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.99 -178.27 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -140.04 86.14 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.46 101.52 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -126.39 166.17 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.7 m -93.22 80.97 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.843 ' CD ' HD11 ' B' ' 69' ' ' ILE . 41.6 mtm-85 -116.98 -59.05 2.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.72 ' CD2' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -98.96 30.61 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -91.13 -64.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.642 ' CB ' HD21 ' B' ' 47' ' ' LEU . 7.4 mt-30 -59.64 -30.0 68.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.664 ' HB3' HD21 ' A' ' 22' ' ' LEU . 15.2 mt -63.18 -36.87 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.758 HG13 HD11 ' A' ' 30' ' ' LEU . 34.3 t -71.18 -52.94 23.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.09 -39.47 75.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.48 -42.54 92.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.706 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 18' ' ' MET . 0.2 OUTLIER -53.36 -47.2 69.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' A' ' 90' ' ' ILE . 7.8 mp -58.79 -32.02 68.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -71.55 -34.2 69.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.849 HG12 ' HB1' ' B' ' 40' ' ' ALA . 34.1 mt -74.49 -43.01 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.972 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.8 mt -63.59 -39.63 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -45.52 92.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.948 ' HB1' ' CG ' ' B' ' 36' ' ' HIS . . . -59.71 -33.34 71.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 97' ' ' THR . 17.5 t80 -59.23 -49.14 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -68.88 -27.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 92' ' ' ALA . 12.5 mt -60.12 -46.88 88.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.083 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -94.73 -65.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.182 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.598 HG21 ' CE1' ' A' ' 93' ' ' PHE . 1.8 p -64.97 -58.04 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.732 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.55 14.48 56.89 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.542 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.426 ' CD2' ' HB ' ' A' ' 97' ' ' THR . 3.1 mm? -79.18 151.69 31.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 117.066 0.433 . . . . 0.0 110.846 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.45 168.49 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.421 ' CD1' HG23 ' A' ' 90' ' ' ILE . 55.8 t80 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.622 ' HB1' HD21 ' A' ' 3' ' ' LEU . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.564 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 19.5 m95 58.6 28.1 16.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.45 -53.99 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.948 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 1.5 p80 -62.48 -29.88 70.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.847 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.408 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 24.5 t -66.82 -39.02 87.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -49.41 77.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.811 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.11 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.003 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.849 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -67.37 -41.54 84.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.692 HD12 ' HB3' ' B' ' 111' ' ' LEU . 3.6 tt -58.88 -46.49 87.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.54 -31.39 72.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -67.41 -43.89 80.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.655 HD23 ' O ' ' B' ' 44' ' ' LEU . 4.0 tt -66.03 -37.01 84.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.808 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.65 -32.17 73.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -57.92 -26.92 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.646 HD23 ' HG ' ' A' ' 82' ' ' LEU . 6.7 mp -93.46 16.21 14.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.259 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.542 HD11 HD22 ' B' ' 101' ' ' LEU . 1.5 mp -131.53 -39.6 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.184 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -44.55 111.76 0.34 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.301 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 50.6 t -54.48 154.69 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.61 -37.6 41.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.409 ' HD3' ' CD2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -88.88 -61.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' THR . 93.5 m -60.9 -19.56 60.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.59 45.01 7.7 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.855 0.359 . . . . 0.0 111.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -157.7 -168.01 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' B' ' 105' ' ' ILE . 34.5 mm -63.08 146.22 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.483 HD12 ' HG ' ' B' ' 48' ' ' LEU . 76.4 mt -86.76 165.6 15.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.27 100.36 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.584 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.588 ' CG ' HG21 ' B' ' 97' ' ' ILE . 6.4 tt0 56.15 51.84 6.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 73.9 Cg_endo -75.35 175.4 11.32 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.62 2.213 . . . . 0.0 112.587 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.941 HG22 HD13 ' B' ' 97' ' ' ILE . 47.5 t -136.1 143.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.54 167.47 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.762 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.479 HD23 ' CG1' ' B' ' 75' ' ' VAL . 0.5 OUTLIER -107.78 -51.83 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -59.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.96 42.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.421 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 p -120.9 30.64 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.006 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 61.96 19.3 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.16 124.39 50.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.843 HD11 ' CD ' ' A' ' 78' ' ' ARG . 15.5 mt -138.74 142.09 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.409 ' CD2' ' HD3' ' B' ' 52' ' ' ARG . 1.6 m-85 -147.33 178.1 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 21.9 m -59.73 173.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.652 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.3 OUTLIER -63.08 -42.56 99.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -95.67 19.42 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.234 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.63 -30.8 11.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.479 ' CG1' HD23 ' B' ' 63' ' ' LEU . 33.4 m -104.66 -36.74 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.338 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.403 ' HA ' ' CG2' ' B' ' 79' ' ' ILE . 37.6 t -41.42 -30.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.851 -179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -47.96 -44.03 29.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.876 0.37 . . . . 0.0 110.983 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . 0.845 ' O ' HG22 ' B' ' 81' ' ' THR . 6.6 m -136.48 12.12 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.103 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 1.102 HD11 HD11 ' B' ' 92' ' ' ILE . 0.1 OUTLIER -56.9 133.55 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.402 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.6 -26.51 10.09 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.845 HG22 ' O ' ' B' ' 78' ' ' CYS . 12.0 t -94.61 -30.95 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.72 140.25 5.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.42 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . 0.423 ' N ' HD11 ' B' ' 63' ' ' LEU . 53.8 t -58.41 116.32 14.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.97 -2.36 12.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.436 2.091 . . . . 0.0 112.698 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 t -103.14 -24.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.774 0.321 . . . . 0.0 111.281 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.06 -19.91 13.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 65.99 49.07 1.66 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.474 HG23 ' HD2' ' B' ' 89' ' ' PRO . 89.9 m -132.58 139.31 34.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' B' ' 88' ' ' THR . 57.2 Cg_endo -71.08 149.41 58.45 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.436 2.091 . . . . 0.0 112.317 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.5 145.84 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . 0.417 ' CD1' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -128.15 18.35 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 1.102 HD11 HD11 ' B' ' 79' ' ' ILE . 15.7 pt -106.76 -37.82 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 70.54 -59.63 0.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.022 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.96 -176.46 5.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.687 HD13 HG11 ' B' ' 61' ' ' VAL . 4.4 mm? -101.61 72.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.739 ' O ' HG13 ' B' ' 61' ' ' VAL . 0.0 OUTLIER -70.79 140.79 51.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.941 HD13 HG22 ' B' ' 61' ' ' VAL . 25.1 mm -104.78 137.82 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -80.63 87.18 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.792 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -58.96 -30.58 68.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . 0.485 HE21 HG23 ' A' ' 21' ' ' ILE . 21.9 mm100 -71.93 -42.5 66.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.542 HD22 HD11 ' B' ' 48' ' ' LEU . 7.5 mt -68.42 -34.7 76.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.761 ' HA ' HD12 ' B' ' 105' ' ' ILE . 5.4 m-20 -61.33 -43.92 98.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.645 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.7 m -63.01 -33.43 75.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.787 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.853 ' HG2' HD13 ' A' ' 21' ' ' ILE . 5.8 mtp -57.86 -44.39 86.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' B' ' 102' ' ' ASP . 4.0 mt -59.28 -57.17 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.238 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -55.7 -47.57 76.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.773 HD23 HG13 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -59.03 -43.87 91.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.4 t -58.49 -31.14 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.668 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -36.54 82.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.65 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.65 ' CE ' HD23 ' B' ' 107' ' ' LEU . 5.3 mtmm -58.33 -52.47 65.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.788 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.692 ' HB3' HD12 ' B' ' 41' ' ' LEU . 0.4 OUTLIER -57.5 -35.58 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.968 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . 0.707 ' HA ' HD12 ' B' ' 115' ' ' LEU . 5.1 mtt180 -58.5 -49.07 78.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -64.88 -42.27 94.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.88 HD13 HG22 ' A' ' 11' ' ' VAL . 8.6 mt -65.37 -31.75 73.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' B' ' 112' ' ' ARG . 10.1 mt -63.68 -37.95 89.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -127.93 106.9 9.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.867 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.798 HD22 HG22 ' A' ' 97' ' ' THR . 1.2 tt . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.903 0.382 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.627 ' HA ' HG21 ' A' ' 8' ' ' VAL . 3.9 m -166.35 30.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 4' ' ' SER . . . 175.66 -34.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.331 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 7' ' ' ARG . 3.3 pp -52.19 -38.54 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.337 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.834 ' HB2' HD12 ' A' ' 6' ' ' LEU . 2.7 mtt85 -171.88 48.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.832 ' CG1' HD22 ' A' ' 99' ' ' LEU . 18.7 t -104.8 -42.61 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -61.4 -36.95 81.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 14' ' ' VAL . 62.8 mm-40 -67.49 -49.71 62.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.747 HG13 ' CD2' ' B' ' 111' ' ' LEU . 27.1 t -66.16 -38.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.12 -39.03 84.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -69.12 -32.6 72.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 10' ' ' GLU . 29.9 t -68.26 -52.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.662 HD11 HG12 ' A' ' 11' ' ' VAL . 4.0 mt -58.2 -26.74 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.35 -36.63 68.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.697 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -71.46 -56.27 6.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.872 ' HE3' HD12 ' B' ' 107' ' ' LEU . 8.9 ptp -55.48 -28.4 54.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.408 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 3.7 tt0 -70.71 -38.25 73.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -62.98 -31.38 72.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 18' ' ' MET . 43.9 mt -64.21 -37.85 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.815 HD21 ' CE ' ' B' ' 104' ' ' MET . 4.3 mt -98.77 30.35 3.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.94 -167.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -129.56 137.74 31.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.68 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.61 40.04 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.889 2.392 . . . . 0.0 114.315 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.453 HD12 ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -153.24 -38.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.388 179.134 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.51 -9.46 12.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.994 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 62.02 59.75 1.63 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.818 0.342 . . . . 0.0 110.602 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -155.54 173.12 17.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.165 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.6 HD23 ' CG1' ' A' ' 83' ' ' VAL . 6.4 mp -56.66 -174.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.769 HD13 ' CG2' ' A' ' 42' ' ' ILE . 2.1 pt -139.29 94.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -60.35 -51.93 67.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -105.7 84.22 1.17 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.792 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.696 ' HB3' HD12 ' A' ' 31' ' ' ILE . 30.8 Cg_endo -64.1 119.06 5.99 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.56 2.173 . . . . 0.0 112.319 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 HD12 ' A' ' 73' ' ' LEU . 11.3 p -125.04 121.32 60.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.7 p -75.21 115.08 14.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.682 ' HA ' HD13 ' A' ' 73' ' ' LEU . 10.2 p -80.39 164.08 23.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.75 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -28.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.572 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.455 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 3.6 m -94.77 26.08 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.25 44.95 29.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.214 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.907 ' ND1' HD22 ' A' ' 63' ' ' LEU . 80.3 m-70 -117.85 152.39 35.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.006 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.769 ' CG2' HD13 ' A' ' 31' ' ' ILE . 16.3 mm -100.53 137.58 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.258 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CE2' HD12 ' A' ' 26' ' ' ILE . 15.7 m-85 -135.69 -179.54 5.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.65 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.669 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.8 m -97.3 26.41 4.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.971 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.38 -68.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.611 ' CD1' HD22 ' A' ' 49' ' ' LEU . 2.3 t80 -59.59 -29.03 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m -56.78 -30.48 63.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.566 ' O ' HD12 ' A' ' 52' ' ' LEU . 8.5 mmt -75.14 -35.79 61.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 46' ' ' PHE . 8.7 mp -60.16 -44.74 94.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -39.31 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.23 -30.56 70.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 48' ' ' MET . 2.7 mt -79.9 -30.7 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -89.34 -30.51 18.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -58.92 -31.25 68.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -121.54 142.7 49.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -60.05 130.09 45.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.04 -156.63 50.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -50.89 142.98 31.75 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.655 2.237 . . . . 0.0 112.33 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.48 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -59.84 -175.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -132.59 108.15 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.446 ' HA ' HD11 ' A' ' 68' ' ' ILE . 48.1 t -56.91 109.57 1.8 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.14 -15.02 20.66 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.426 2.084 . . . . 0.0 112.717 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.907 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.8 mp -79.7 -29.17 40.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.189 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 m -137.21 20.0 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.296 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? 49.95 27.46 2.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.234 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -172.42 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -123.35 101.26 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 69' ' ' THR . 5.6 mt -82.48 158.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -124.88 -176.71 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -82.4 -31.58 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -98.52 30.76 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -113.72 -33.54 5.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 37' ' ' THR . 3.8 mm? -58.66 153.18 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -141.54 89.11 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.58 101.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -168.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.5 m -131.85 75.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.591 ' CB ' HD11 ' B' ' 69' ' ' ILE . 0.4 OUTLIER -113.53 -37.15 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.765 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.766 ' CD1' HD22 ' A' ' 22' ' ' LEU . 1.7 m-85 -121.09 34.11 5.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.811 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -95.24 -59.75 1.82 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.5 ' HB2' HD11 ' B' ' 47' ' ' LEU . 14.2 mt-30 -57.58 -30.14 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' B' ' 47' ' ' LEU . 0.4 OUTLIER -68.34 -34.04 75.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 79' ' ' PHE . 36.2 t -72.72 -53.05 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.89 -46.16 90.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.788 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -60.17 -32.55 71.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.728 HD11 ' SD ' ' A' ' 18' ' ' MET . 10.2 tp -64.77 -42.44 95.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.9 tp -58.78 -36.73 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.608 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -65.38 -32.68 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.503 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.59 HD12 HD12 ' A' ' 86' ' ' LEU . 43.9 mt -73.56 -32.82 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.778 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 87' ' ' LEU . 6.3 mt -80.56 -30.35 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.011 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.63 -44.31 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' B' ' 36' ' ' HIS . . . -69.47 -37.18 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.475 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 58.9 t80 -58.91 -60.7 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -26.95 44.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -54.04 51.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.668 ' O ' HD13 ' A' ' 3' ' ' LEU . 11.7 t0 -100.55 32.98 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.798 HG22 HD22 ' A' ' 3' ' ' LEU . 30.7 p -157.56 123.96 4.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.61 11.19 53.33 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.697 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.832 HD22 ' CG1' ' A' ' 8' ' ' VAL . 3.4 mp -88.8 -25.97 21.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.933 0.397 . . . . 0.0 110.827 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 53.74 173.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.446 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.817 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.849 0.357 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.739 ' CH2' HD21 ' A' ' 3' ' ' LEU . 18.8 m95 60.81 31.69 20.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.27 -53.33 4.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.528 ' HB2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -61.77 -31.22 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.0 m -75.64 -31.3 59.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -59.94 -46.07 90.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.76 -46.53 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.539 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -60.11 -32.98 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.531 HD12 ' HB3' ' B' ' 111' ' ' LEU . 8.2 tt -60.16 -51.5 69.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -35.02 74.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -58.96 -34.16 71.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.645 HD23 HD23 ' B' ' 48' ' ' LEU . 7.3 tt -78.15 -34.56 49.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.3 -27.94 66.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -31.74 62.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.541 ' HB3' HD11 ' A' ' 82' ' ' LEU . 3.9 mm? -81.13 -30.7 34.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.796 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.786 ' HA ' HD12 ' B' ' 57' ' ' LEU . 3.7 mm? -84.24 -21.69 31.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.87 114.84 7.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 49.9 t -59.55 156.98 12.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.73 -32.05 17.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.88 -63.34 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 61.1 m -67.28 -14.27 62.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.339 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.3 t 44.59 50.09 8.41 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.979 0.418 . . . . 0.0 111.383 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -149.61 -177.07 5.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.771 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.6 123.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.004 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' B' ' 48' ' ' LEU . 5.3 mt -58.69 141.58 52.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.31 104.32 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.499 ' N ' ' HD3' ' B' ' 60' ' ' PRO . 0.4 OUTLIER 51.12 62.15 11.88 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.471 -179.333 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.765 ' CG ' HD22 ' B' ' 57' ' ' LEU . 2.1 Cg_endo -82.76 -164.88 0.29 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.039 2.492 . . . . 0.0 112.641 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.609 HG13 HG11 ' B' ' 75' ' ' VAL . 7.7 p -156.94 158.7 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.481 ' N ' HG22 ' B' ' 61' ' ' VAL . 20.6 p -83.45 133.96 34.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.629 ' O ' HD13 ' B' ' 63' ' ' LEU . 0.8 OUTLIER -59.48 -36.3 75.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.18 -54.81 0.19 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.92 42.47 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.554 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.85 -52.49 2.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.693 0.282 . . . . 0.0 111.065 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 164.86 -29.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -64.57 141.51 58.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.407 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.591 HD11 ' CB ' ' A' ' 78' ' ' ARG . 6.4 mt -151.04 134.58 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.439 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' B' ' 69' ' ' ILE . 3.8 m-85 -151.54 173.38 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.943 0.402 . . . . 0.0 111.145 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.55 ' O ' HG23 ' B' ' 75' ' ' VAL . 10.0 p -65.57 159.8 23.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.734 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -50.96 -26.13 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.379 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.27 17.65 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.418 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 25.0 m -145.07 19.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.245 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.619 ' O ' HG12 ' B' ' 75' ' ' VAL . 21.2 t -134.66 32.49 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.166 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 34.3 t -122.45 -35.99 3.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.216 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -57.88 118.41 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 111.115 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 3.2 m 61.76 30.48 18.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.577 HD11 HD21 ' B' ' 63' ' ' LEU . 28.9 mm -108.54 158.74 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.989 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . 0.499 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 101.14 -26.41 24.72 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.953 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -105.53 -28.25 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 0.0 110.609 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.75 139.01 3.76 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.469 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.47 134.97 93.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.572 0.225 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.52 -22.05 6.97 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.669 2.246 . . . . 0.0 112.627 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.89 -67.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.293 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 13.8 m -71.38 -15.0 62.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.228 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 63.19 27.19 15.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.808 0.337 . . . . 0.0 110.752 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 87.8 m -102.95 123.17 43.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.33 142.92 45.52 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.465 2.11 . . . . 0.0 112.281 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.71 80.57 8.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -23.89 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.306 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.462 HG21 ' SG ' ' B' ' 62' ' ' CYS . 0.6 OUTLIER -59.32 -45.43 93.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.307 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.15 -63.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.03 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.81 172.54 10.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' B' ' 95' ' ' LEU . 7.6 tp -102.04 72.84 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.428 ' HZ3' HG22 ' B' ' 92' ' ' ILE . 1.0 OUTLIER -77.13 -173.65 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.733 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.413 HG23 ' O ' ' B' ' 60' ' ' PRO . 17.8 mm -133.74 147.68 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 111.251 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -92.63 85.18 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.572 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -51.38 -28.84 13.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.357 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . 0.498 ' O ' HG21 ' A' ' 21' ' ' ILE . 5.1 mm-40 -70.06 -41.87 73.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.689 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' B' ' 101' ' ' LEU . 11.6 mt -72.67 -34.23 67.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.603 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.818 ' HA ' HD12 ' B' ' 105' ' ' ILE . 4.7 m-20 -59.63 -59.39 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.766 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -29.59 67.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.815 ' CE ' HD21 ' A' ' 22' ' ' LEU . 28.4 tpp -64.46 -44.0 92.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' B' ' 102' ' ' ASP . 4.8 mt -56.59 -54.44 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -29.98 69.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.669 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.872 HD12 ' HE3' ' A' ' 18' ' ' MET . 0.4 OUTLIER -60.99 -50.66 72.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -35.5 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 41.5 m -59.94 -33.71 72.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.673 ' HE2' HD13 ' B' ' 107' ' ' LEU . 0.9 OUTLIER -67.34 -46.06 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.747 ' CD2' HG13 ' A' ' 11' ' ' VAL . 12.7 mt -59.88 -39.11 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . 0.421 ' HD2' ' CD2' ' B' ' 116' ' ' HIS . 0.1 OUTLIER -64.95 -47.73 76.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -58.74 -31.37 68.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 11' ' ' VAL . 10.9 mt -76.55 -30.48 57.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.598 HD23 ' HB3' ' B' ' 34' ' ' TRP . 56.0 mt -59.96 -67.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . 0.421 ' CD2' ' HD2' ' B' ' 112' ' ' ARG . 16.3 p80 -76.23 91.26 3.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.217 0.532 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.881 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.946 HD23 ' HB1' ' B' ' 33' ' ' ALA . 10.9 mp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m 66.6 11.52 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.504 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.42 23.71 3.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.588 0.232 . . . . 0.0 111.534 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -71.18 -29.99 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.998 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 11' ' ' VAL . 5.5 ptp180 -173.81 35.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.034 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.59 HG11 HD11 ' A' ' 99' ' ' LEU . 22.8 t -74.5 -51.69 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -60.17 -30.6 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.62 ' HB3' HD21 ' B' ' 114' ' ' LEU . 62.8 mm-40 -63.82 -60.71 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.794 HG13 ' CD2' ' B' ' 111' ' ' LEU . 21.5 t -58.27 -38.89 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.509 ' HA ' HD12 ' A' ' 15' ' ' ILE . 33.7 tt0 -59.45 -39.12 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.89 -31.12 68.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.57 HG13 ' HE3' ' B' ' 110' ' ' LYS . 21.6 t -71.76 -49.11 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.618 HD11 HG12 ' A' ' 11' ' ' VAL . 5.5 mt -55.86 -33.23 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -63.23 -54.5 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.506 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 21' ' ' ILE . . . -59.67 -33.7 71.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.956 ' HE2' HD12 ' B' ' 107' ' ' LEU . 8.1 tpp -61.06 -34.64 75.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.568 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.638 HE21 HD13 ' A' ' 30' ' ' LEU . 3.4 tt0 -71.03 -30.47 66.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.717 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -57.15 -38.3 73.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.859 HG21 ' CG ' ' B' ' 104' ' ' MET . 4.9 mp -68.24 -37.97 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.658 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.802 HD12 HG22 ' A' ' 83' ' ' VAL . 3.8 mm? -98.68 31.47 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.69 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -95.87 -167.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.452 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 13.9 t -113.15 138.65 22.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.854 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -93.48 14.67 1.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.975 2.45 . . . . 0.0 114.191 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 27' ' ' CYS . 2.4 pp -141.66 -41.32 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.488 ' HB3' HD12 ' A' ' 26' ' ' ILE . 27.7 p -123.53 4.91 8.97 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.68 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.6 mm? 54.27 29.83 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.741 -0.208 . . . . 0.0 111.412 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 73.0 mm-40 -101.13 118.84 37.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.581 0.229 . . . . 0.0 110.732 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.648 ' CD2' HD11 ' A' ' 87' ' ' LEU . 14.6 tp -39.96 99.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.943 0.401 . . . . 0.0 111.299 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.853 HG22 ' SG ' ' A' ' 44' ' ' CYS . 18.5 pt -52.17 129.54 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.539 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -104.48 -35.7 7.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.627 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.2 mt-10 -114.41 81.04 6.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.516 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' CA ' ' A' ' 80' ' ' SER . 77.0 Cg_exo -47.94 114.7 1.19 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.619 2.213 . . . . 0.0 112.701 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.713 HG21 ' CA ' ' A' ' 45' ' ' LYS . 43.7 t -117.24 121.93 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 14.1 p -86.34 119.99 27.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.481 HG21 ' CE ' ' A' ' 48' ' ' MET . 3.2 p -88.27 154.06 20.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.679 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -52.6 -22.93 5.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.714 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.8 m -90.9 22.85 3.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.63 0.252 . . . . 0.0 111.413 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.54 62.8 2.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 111.285 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.88 ' ND1' HD22 ' A' ' 63' ' ' LEU . 93.3 m-70 -140.29 -175.77 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 41' ' ' HIS . 22.6 mm -133.1 141.82 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CD1' ' HE3' ' A' ' 48' ' ' MET . 33.0 m-85 -144.8 -177.82 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.853 ' SG ' HG22 ' A' ' 31' ' ' ILE . 4.3 m -99.63 25.76 6.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.713 ' CA ' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 68.97 -66.77 0.24 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.18 -29.3 65.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.454 ' SG ' HD11 ' A' ' 26' ' ' ILE . 84.5 m -57.88 -43.54 86.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.688 ' CE ' HD13 ' A' ' 68' ' ' ILE . 4.8 mmt -63.95 -33.07 74.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.58 -47.37 78.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -70.5 -34.53 72.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' ' 59' ' ' SER . 9.0 tp -63.3 -31.22 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 48' ' ' MET . 4.0 mt -78.97 -30.86 44.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -89.88 -21.47 22.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.169 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -67.88 0.22 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -98.72 24.62 7.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp 60.23 156.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.99 -156.64 12.99 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.586 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.77 151.99 14.13 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.557 2.171 . . . . 0.0 112.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.802 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -80.83 174.82 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' HD21 ' A' ' 51' ' ' LEU . 4.2 tt0 -128.93 113.75 15.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.4 t -59.34 110.22 2.54 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.45 -13.79 27.77 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.441 2.094 . . . . 0.0 112.755 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.88 HD22 ' ND1' ' A' ' 41' ' ' HIS . 6.7 mp -74.6 -32.84 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.156 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.0 p -142.47 24.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.198 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 50.77 30.93 5.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.379 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -79.32 -169.27 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.27 104.75 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.688 HD13 ' CE ' ' A' ' 48' ' ' MET . 9.2 mt -88.74 158.46 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.483 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -133.78 -176.92 4.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.4 167.87 11.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.02 29.91 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -124.66 -40.7 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.62 HD12 HG12 ' A' ' 35' ' ' VAL . 3.6 mm? -57.38 148.78 22.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -149.76 118.12 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.95 145.33 41.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.6 t -149.4 150.16 31.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.519 ' O ' HG22 ' A' ' 77' ' ' THR . 52.3 m -94.49 -0.64 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.258 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.787 ' CG ' HD11 ' B' ' 69' ' ' ILE . 6.2 ttm180 -51.61 -60.1 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.727 0.299 . . . . 0.0 111.183 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.534 ' HE1' HD22 ' B' ' 101' ' ' LEU . 0.1 OUTLIER -98.0 37.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.819 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.412 ' CA ' ' HG2' ' A' ' 34' ' ' PRO . 10.9 t -100.93 -63.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.638 ' HB2' HD21 ' B' ' 47' ' ' LEU . 32.6 mt-30 -56.53 -31.77 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.771 ' HG ' HD22 ' B' ' 47' ' ' LEU . 2.4 mt -63.68 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.802 HG22 HD12 ' A' ' 22' ' ' LEU . 22.6 t -80.85 -43.55 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.029 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.31 -44.39 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.26 -44.87 88.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.675 ' HA ' HD12 ' A' ' 89' ' ' ILE . 17.6 tp -57.44 -48.06 80.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.648 HD11 ' CD2' ' A' ' 30' ' ' LEU . 30.6 mt -53.75 -30.38 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -76.01 -31.74 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.725 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 86' ' ' LEU . 47.5 mt -66.25 -36.86 78.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.1 mt -72.28 -34.93 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.072 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.06 -49.94 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.639 ' HB1' ' CG ' ' B' ' 36' ' ' HIS . . . -59.75 -36.47 76.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.591 ' CZ ' HG21 ' A' ' 97' ' ' THR . 40.4 t80 -57.36 -50.49 72.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -66.19 -28.02 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -58.16 -39.58 79.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.486 ' HB3' HD11 ' A' ' 3' ' ' LEU . 4.9 m-20 -102.47 -59.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.687 HG22 HD13 ' A' ' 3' ' ' LEU . 12.6 p -59.17 -48.99 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.83 28.27 57.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.544 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 8' ' ' VAL . 9.8 mt -105.14 156.11 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -63.12 -174.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.461 ' CG ' HG21 ' A' ' 90' ' ' ILE . 15.7 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.946 ' HB1' HD23 ' A' ' 3' ' ' LEU . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.578 ' CH2' HD22 ' A' ' 3' ' ' LEU . 21.2 m95 60.71 37.42 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.82 -51.93 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.639 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -59.79 -31.47 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.4 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 58.4 m -75.31 -31.43 60.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.608 ' HA ' HD13 ' B' ' 115' ' ' LEU . 13.3 ttp85 -60.26 -47.53 85.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.17 88.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.621 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -70.75 -37.04 73.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.754 HD22 HD12 ' B' ' 115' ' ' LEU . 46.3 tp -59.13 -45.96 89.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.7 -33.81 76.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -60.86 -32.52 71.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.437 ' O ' HD23 ' B' ' 48' ' ' LEU . 7.4 tt -74.68 -34.38 62.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.32 -24.4 66.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -54.3 -29.57 47.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.771 HD22 ' HG ' ' A' ' 82' ' ' LEU . 5.0 mp -92.8 -27.09 17.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.853 HD12 HD13 ' B' ' 105' ' ' ILE . 4.0 mm? -80.94 -31.25 35.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -56.92 127.63 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 0.713 ' HB2' HD23 ' B' ' 57' ' ' LEU . 38.2 t -59.94 151.54 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.449 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -76.82 -29.39 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -57.74 2.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.409 ' O ' ' CG2' ' B' ' 54' ' ' THR . 23.7 m -65.43 -15.94 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.337 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 10.2 t 44.75 52.07 8.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.953 0.406 . . . . 0.0 111.349 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -170.42 -175.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.778 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 38.2 mm -60.1 136.26 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.888 HD12 HD11 ' B' ' 105' ' ' ILE . 0.2 OUTLIER -115.84 161.11 19.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -132.06 114.13 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.682 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 1.2 tt0 60.47 53.76 3.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.703 ' HG3' HD13 ' B' ' 57' ' ' LEU . 53.6 Cg_endo -69.4 -168.19 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.633 2.222 . . . . 0.0 112.503 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.679 HG13 ' O ' ' B' ' 96' ' ' LYS . 15.2 t -135.0 141.73 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 22.2 p -84.26 122.32 28.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.435 HD22 ' CG2' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -59.98 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.55 -53.72 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.11 42.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 p -124.14 28.85 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 65.36 14.47 9.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.536 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.683 ' CG ' ' HG ' ' B' ' 86' ' ' CYS . 0.6 OUTLIER -103.68 119.0 38.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.787 HD11 ' CG ' ' A' ' 78' ' ' ARG . 1.9 mp -128.95 144.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -149.54 170.52 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.733 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 11.1 m -65.62 -175.56 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.49 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.8 OUTLIER -96.4 23.72 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -149.06 20.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.185 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 5.0 m -134.0 -46.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 1.041 HG22 HD11 ' B' ' 79' ' ' ILE . 11.3 p -57.81 -28.36 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.279 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 29.2 t -63.49 80.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -150.97 -46.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 4.8 p -130.08 37.26 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 1.041 HD11 HG22 ' B' ' 75' ' ' VAL . 24.9 mm -77.83 141.46 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.24 -27.2 17.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.433 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.6 t -101.33 -31.19 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.99 140.3 7.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -55.29 115.81 10.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.558 0.218 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.1 -6.72 19.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.425 2.083 . . . . 0.0 112.565 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 23.1 t -98.69 -25.4 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . 0.683 ' HG ' ' CG ' ' B' ' 68' ' ' HIS . 9.6 m -106.59 -24.38 12.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 65.87 42.73 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 78.8 m -133.33 142.14 43.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.03 145.91 39.85 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.513 2.142 . . . . 0.0 112.279 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.23 -27.25 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . 0.543 ' O ' HG23 ' B' ' 92' ' ' ILE . 0.3 OUTLIER 58.59 19.93 7.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.304 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.543 HG23 ' O ' ' B' ' 91' ' ' TRP . 1.7 pt -158.93 127.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -91.22 -33.21 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.72 172.98 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.87 83.73 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.679 ' O ' HG13 ' B' ' 61' ' ' VAL . 0.6 OUTLIER -63.04 -178.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.462 HG22 ' N ' ' B' ' 98' ' ' ASN . 26.6 mm -128.99 157.01 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . 0.462 ' N ' HG22 ' B' ' 97' ' ' ILE . 0.2 OUTLIER -107.26 94.11 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.796 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -69.55 -58.85 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -59.49 -46.05 89.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.763 ' CD1' HD13 ' B' ' 48' ' ' LEU . 0.2 OUTLIER -57.81 -49.12 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.811 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -62.5 -42.95 99.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.3 m -56.18 -32.16 64.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.696 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.859 ' CG ' HG21 ' A' ' 21' ' ' ILE . 11.3 mtp -74.2 -28.88 61.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.699 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.888 HD11 HD12 ' B' ' 57' ' ' LEU . 35.0 mm -59.01 -60.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -61.17 -37.1 81.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.956 HD12 ' HE2' ' A' ' 18' ' ' MET . 0.2 OUTLIER -58.79 -56.68 19.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 50.0 t -56.93 -30.92 64.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -59.3 -38.5 80.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.651 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.798 ' HE2' HD13 ' B' ' 107' ' ' LEU . 0.3 OUTLIER -65.43 -48.48 72.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.742 179.793 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.794 ' CD2' HG13 ' A' ' 11' ' ' VAL . 12.2 mt -59.68 -39.38 84.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -57.27 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -59.97 -31.26 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 10' ' ' GLU . 20.6 mt -71.65 -56.66 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.754 HD12 HD22 ' B' ' 41' ' ' LEU . 68.3 mt -60.03 -32.79 71.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -85.11 -74.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.491 ' HB2' HD23 ' A' ' 6' ' ' LEU . 9.7 m -64.08 -23.31 67.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.571 ' HA ' HG23 ' A' ' 8' ' ' VAL . . . 63.65 19.92 11.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.299 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.723 HD12 ' HB2' ' A' ' 7' ' ' ARG . 3.6 pp -71.64 -35.01 70.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.792 ' O ' HG23 ' A' ' 11' ' ' VAL . 14.2 mtt180 -164.81 48.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' A' ' 5' ' ' ALA . 22.6 t -75.58 -31.12 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.24 -36.1 63.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -67.76 -42.92 81.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 7' ' ' ARG . 28.1 t -63.67 -40.8 90.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' HG3' ' CE2' ' A' ' 93' ' ' PHE . 18.9 mt-30 -61.26 -31.55 71.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.01 -41.02 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.597 HG22 ' HE3' ' B' ' 110' ' ' LYS . 21.7 t -69.98 -41.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.679 HD11 HG12 ' A' ' 11' ' ' VAL . 13.8 mt -69.58 -32.55 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -75.89 -33.27 59.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.966 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -67.87 -53.26 28.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.682 ' HA ' HD12 ' A' ' 21' ' ' ILE . 12.1 ptp -56.58 -36.5 69.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.23 -38.57 87.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.745 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -60.57 -31.74 70.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.68 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 18' ' ' MET . 38.3 mt -65.25 -27.42 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.679 ' HB3' HG22 ' A' ' 83' ' ' VAL . 3.7 mm? -105.42 32.49 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.692 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -90.53 -170.0 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 15.2 t -113.02 138.44 22.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.821 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 24' ' ' CYS . 61.7 Cg_endo -93.45 15.14 1.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 123.018 2.479 . . . . 0.0 114.142 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.44 HG21 ' HE2' ' A' ' 43' ' ' PHE . 2.1 pp -141.02 -39.19 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.428 ' HB3' HD12 ' A' ' 26' ' ' ILE . 24.4 p -128.31 8.03 5.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.603 0.24 . . . . 0.0 111.64 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 52.57 28.25 5.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.646 0.26 . . . . 0.0 111.383 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 93.3 mt-10 -97.28 115.33 27.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.712 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.564 ' CD2' HD21 ' A' ' 87' ' ' LEU . 11.0 tp -38.5 98.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.05 0.453 . . . . 0.0 111.315 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.857 HG22 ' SG ' ' A' ' 44' ' ' CYS . 31.0 pt -50.75 136.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.585 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -113.06 -31.83 6.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -114.46 86.78 12.84 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HG2' ' N ' ' A' ' 80' ' ' SER . 52.8 Cg_exo -52.27 115.88 2.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.614 2.209 . . . . 0.0 112.39 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.664 HG21 ' HE3' ' A' ' 45' ' ' LYS . 13.7 p -129.53 119.2 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 p -78.02 126.16 30.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.756 HG22 HD23 ' A' ' 73' ' ' LEU . 8.2 p -92.31 162.69 14.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.488 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -48.53 -27.08 2.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.401 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 t -94.52 24.45 4.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 55.04 47.24 22.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.282 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.944 ' ND1' HD22 ' A' ' 63' ' ' LEU . 44.6 m-70 -124.98 153.69 42.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.9 mm -96.5 149.47 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.364 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' CD1' HG21 ' A' ' 37' ' ' THR . 15.6 m-85 -146.53 -177.26 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.683 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.857 ' SG ' HG22 ' A' ' 31' ' ' ILE . 4.5 m -99.85 20.44 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HE3' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 68.73 -66.35 0.24 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.828 0.347 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -27.68 63.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.1 m -55.35 -40.07 70.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.587 ' O ' HD12 ' A' ' 52' ' ' LEU . 9.6 mmt -66.14 -40.04 90.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 49' ' ' LEU . 8.4 mp -58.98 -43.62 91.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -85.04 -30.69 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' A' ' 59' ' ' SER . 8.2 tt -73.19 -38.47 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -57.26 -30.47 64.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.709 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' LYS . 36.6 m-20 -88.97 -75.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.647 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.04 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' ASN . 6.6 mttt -177.03 -39.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.849 0.357 . . . . 0.0 110.795 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -165.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.92 -152.67 1.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.715 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.465 ' HB3' HG22 ' A' ' 69' ' ' THR . 99.5 Cg_exo -43.4 151.26 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.021 2.481 . . . . 0.0 112.758 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.762 ' HB3' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -75.68 157.86 33.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -143.94 138.64 28.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -55.43 108.81 1.29 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.76 -4.77 15.97 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.436 2.09 . . . . 0.0 112.715 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.944 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.3 mp -85.24 -28.76 25.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.226 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.0 m -132.67 -82.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 pttp 170.49 41.55 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -96.27 -174.96 3.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -130.94 104.98 7.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.539 HD13 ' CE ' ' A' ' 48' ' ' MET . 2.9 mt -99.88 135.71 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.726 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.546 ' HA ' HD21 ' A' ' 52' ' ' LEU . 16.7 p -152.17 62.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.091 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt 60.46 155.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 53.52 25.25 4.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.2 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -115.09 -32.5 5.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.756 HD23 HG22 ' A' ' 37' ' ' THR . 4.1 mp -84.42 171.16 12.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.17 89.63 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.784 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 132.11 51.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.24 -175.9 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.4 m -115.96 77.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.447 ' CD ' HD11 ' B' ' 69' ' ' ILE . 16.6 ttp180 -118.83 -54.81 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.618 ' HA ' HD12 ' A' ' 82' ' ' LEU . 2.6 m-85 -99.04 32.11 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.797 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 34' ' ' PRO . 10.1 t -88.79 -61.51 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.563 ' HB2' HD11 ' B' ' 47' ' ' LEU . 44.6 mm-40 -59.62 -35.07 73.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 79' ' ' PHE . 54.4 mt -57.79 -35.03 70.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 22' ' ' LEU . 22.1 t -78.25 -54.8 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.66 -42.99 98.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -57.84 -44.57 86.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.738 HD12 HD11 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -53.46 -41.3 66.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' A' ' 30' ' ' LEU . 4.0 mm? -61.07 -35.68 77.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -69.8 -37.85 76.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.878 HG12 ' HB1' ' B' ' 40' ' ' ALA . 23.0 mt -70.16 -42.99 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.738 HD11 HD12 ' A' ' 86' ' ' LEU . 15.0 mt -68.77 -30.72 48.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.997 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.0 m -69.01 -36.86 78.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.85 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -66.42 -37.66 85.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 4.0 t80 -59.69 -55.95 27.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -28.96 67.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.76 -41.66 87.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.996 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -100.35 -68.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.781 ' HB ' HD23 ' A' ' 99' ' ' LEU . 10.3 p -60.31 -45.72 92.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.71 29.57 75.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.559 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.781 HD23 ' HB ' ' A' ' 97' ' ' THR . 4.2 mm? -84.28 -178.57 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.55 140.98 29.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.541 ' CD2' HG23 ' A' ' 90' ' ' ILE . 15.8 t80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.668 ' HB3' HD23 ' B' ' 115' ' ' LEU . 10.9 m95 61.32 30.21 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.16 -56.47 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.04 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.85 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.45 -30.68 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.446 ' OG ' HD21 ' B' ' 115' ' ' LEU . 41.3 t -67.53 -36.53 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.451 ' NH2' HD23 ' B' ' 41' ' ' LEU . 6.8 tpm_? -60.2 -58.04 10.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.23 68.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.878 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -68.7 -38.64 80.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.451 HD23 ' NH2' ' B' ' 38' ' ' ARG . 11.9 tp -59.26 -43.61 92.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.72 -39.94 90.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -59.56 -53.05 62.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.757 HD23 ' O ' ' B' ' 44' ' ' LEU . 4.4 tt -59.05 -36.58 75.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.47 -28.21 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -56.95 -31.19 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 81' ' ' GLN . 4.0 mm? -79.89 -30.28 40.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.518 HD12 ' CG1' ' B' ' 105' ' ' ILE . 3.4 mm? -87.44 -22.82 24.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 114.74 1.6 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 0.738 ' HB2' HD23 ' B' ' 57' ' ' LEU . 45.0 t -59.96 156.75 13.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.441 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.4 OUTLIER -82.64 -34.47 27.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -57.41 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.402 ' O ' ' CG2' ' B' ' 54' ' ' THR . 66.9 m -65.27 -15.55 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.277 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.2 t 44.68 41.41 4.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.914 0.388 . . . . 0.0 111.332 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -163.33 -173.94 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -62.16 128.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.751 HD13 ' CG ' ' B' ' 60' ' ' PRO . 0.3 OUTLIER -107.26 168.67 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.35 105.12 8.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.432 ' N ' ' HD3' ' B' ' 60' ' ' PRO . 9.9 tt0 56.89 63.63 5.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.003 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.751 ' CG ' HD13 ' B' ' 57' ' ' LEU . 26.6 Cg_exo -62.53 -161.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.585 2.19 . . . . 0.0 112.29 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.826 HG13 ' O ' ' B' ' 96' ' ' LYS . 36.5 t -149.65 137.39 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 75.3 m -61.46 161.32 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.799 HD23 ' CE1' ' B' ' 70' ' ' PHE . 0.3 OUTLIER -94.18 -65.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.28 -67.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -155.03 32.99 0.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.38 -146.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -117.9 -27.39 6.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.637 0.256 . . . . 0.0 111.308 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.431 ' CE1' HG11 ' B' ' 85' ' ' VAL . 32.7 m80 -56.05 127.0 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.376 . . . . 0.0 111.174 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.447 HD11 ' CD ' ' A' ' 78' ' ' ARG . 1.3 mp -127.7 155.05 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.799 ' CE1' HD23 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -147.44 166.5 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 15.1 m -60.98 159.92 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -55.66 -26.08 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -112.73 22.52 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.3 m -124.49 -44.41 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.768 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 1.061 HG22 HD11 ' B' ' 79' ' ' ILE . 12.0 p -58.37 -30.82 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.5 p -63.12 80.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.67 -61.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 11.1 m -126.51 39.98 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.765 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 1.061 HD11 HG22 ' B' ' 75' ' ' VAL . 24.4 mm -74.25 -26.69 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.98 -27.3 50.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.9 m -115.7 -66.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . 0.514 ' HA2' ' HB2' ' B' ' 90' ' ' ALA . . . 178.69 -128.98 1.32 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.372 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.4 t -115.96 134.75 22.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.63 0.253 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.36 -21.02 9.28 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.592 2.195 . . . . 0.0 112.644 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' B' ' 68' ' ' HIS . 21.5 t -87.3 -68.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.332 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 55.5 m -71.23 -13.45 61.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.299 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 62.41 28.27 16.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.776 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -93.54 138.97 22.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.7 143.4 67.73 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.463 2.109 . . . . 0.0 112.224 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.514 ' HB2' ' HA2' ' B' ' 82' ' ' GLY . . . -65.77 85.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -59.17 -23.87 62.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.571 HD12 ' O ' ' B' ' 94' ' ' ASP . 1.4 pt -104.43 107.3 22.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.98 -31.5 68.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . 0.571 ' O ' HD12 ' B' ' 92' ' ' ILE . 3.5 m-20 -115.11 -176.21 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.807 ' HB3' HG11 ' B' ' 61' ' ' VAL . 52.9 mt -97.97 89.89 4.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.826 ' O ' HG13 ' B' ' 61' ' ' VAL . 5.7 mtpp -77.14 137.59 38.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.642 HD13 HG22 ' B' ' 61' ' ' VAL . 28.3 mm -86.8 141.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.221 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -96.67 94.7 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -58.46 -30.49 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -75.87 -55.58 5.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' B' ' 101' ' ' LEU . 12.2 tp -60.53 -33.51 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.731 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' B' ' 105' ' ' ILE . 23.9 t0 -63.39 -53.48 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.636 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.9 m -61.61 -30.59 70.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.691 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.624 ' SD ' HD21 ' A' ' 22' ' ' LEU . 1.4 mtp -59.4 -38.6 80.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.691 HG21 ' O ' ' B' ' 57' ' ' LEU . 6.9 mt -66.46 -50.84 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -60.28 -31.74 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.966 HD11 ' HB3' ' A' ' 17' ' ' ALA . 1.3 mm? -63.78 -53.13 55.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.674 ' SG ' HD22 ' B' ' 44' ' ' LEU . 32.8 m -59.52 -31.36 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 32.5 t -63.97 -35.17 79.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.774 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.597 ' HE3' HG22 ' A' ' 14' ' ' VAL . 50.3 mtmt -64.72 -46.82 80.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' B' ' 114' ' ' LEU . 14.0 mt -59.0 -35.72 73.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -60.03 -41.82 93.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -69.58 -42.11 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' B' ' 111' ' ' LEU . 4.8 mt -66.1 -41.29 90.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' B' ' 34' ' ' TRP . 6.5 mt -62.11 -31.22 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -134.64 110.53 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.942 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.602 ' HA ' HD21 ' A' ' 6' ' ' LEU . 65.0 tp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 t -175.87 37.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.67 -40.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.602 HD21 ' HA ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -67.78 74.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HD3' HD23 ' B' ' 114' ' ' LEU . 10.3 ttm-85 59.87 76.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.524 HG12 ' HZ ' ' A' ' 93' ' ' PHE . 21.6 t -122.12 -42.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -64.76 -31.39 72.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.79 -48.26 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.774 HG12 HD11 ' A' ' 15' ' ' ILE . 21.6 t -59.74 -32.53 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -47.95 83.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.51 -31.74 70.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.555 HG11 ' HG ' ' B' ' 111' ' ' LEU . 31.1 t -70.79 -58.42 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.774 HD11 HG12 ' A' ' 11' ' ' VAL . 5.1 mt -58.61 -31.45 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -71.55 -48.56 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.842 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -60.24 -33.83 72.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.8 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.765 ' HB3' HD21 ' A' ' 86' ' ' LEU . 6.4 ttm -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.778 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.91 -40.33 88.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.77 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -59.72 -32.63 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 18' ' ' MET . 38.7 mt -67.53 -31.99 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.833 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.875 ' HB3' HG22 ' A' ' 83' ' ' VAL . 3.2 mm? -107.41 30.24 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.578 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.09 -166.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.047 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 14.2 t -112.92 138.69 22.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.942 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 24' ' ' CYS . 63.0 Cg_endo -93.3 16.15 1.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.882 2.388 . . . . 0.0 114.076 -178.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.491 HG21 ' HE2' ' A' ' 43' ' ' PHE . 2.1 pp -142.98 -39.26 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.425 ' HB3' HD12 ' A' ' 26' ' ' ILE . 24.3 p -128.21 9.05 6.14 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 51.08 29.05 4.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.652 0.263 . . . . 0.0 111.391 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 26.9 mm-40 -96.19 118.62 33.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.818 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.563 ' CD2' HD21 ' A' ' 87' ' ' LEU . 11.9 tp -39.14 98.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.004 0.43 . . . . 0.0 111.303 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.839 HG22 ' SG ' ' A' ' 44' ' ' CYS . 1.2 pp -51.93 113.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.825 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -89.35 -43.42 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -101.62 90.87 1.96 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.528 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HG3' ' CA ' ' A' ' 80' ' ' SER . 27.8 Cg_endo -62.6 113.05 1.79 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.533 2.155 . . . . 0.0 112.564 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 36' ' ' SER . 11.2 p -127.47 159.02 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.64 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.479 ' N ' HG22 ' A' ' 35' ' ' VAL . 15.6 p -110.39 127.78 55.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.093 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.559 HG21 ' CD1' ' A' ' 43' ' ' PHE . 19.7 p -92.31 158.09 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HZ3' ' HG2' ' A' ' 38' ' ' LYS . 8.6 tptm -52.42 -23.12 5.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.654 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.2 t -91.0 24.23 2.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 111.342 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 54.7 40.89 32.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.774 0.321 . . . . 0.0 111.037 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.944 ' ND1' HD22 ' A' ' 63' ' ' LEU . 45.7 m-70 -122.98 -179.71 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.2 mm -120.64 147.54 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.492 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.559 ' CD1' HG21 ' A' ' 37' ' ' THR . 28.7 m-85 -146.47 -177.45 5.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.65 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.839 ' SG ' HG22 ' A' ' 31' ' ' ILE . 6.7 m -100.05 24.87 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.043 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tpmp? 68.82 -66.23 0.25 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' HA ' HD13 ' A' ' 49' ' ' LEU . 1.5 t80 -58.75 -29.91 67.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.8 m -57.63 -33.96 68.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.686 ' SD ' HD11 ' A' ' 73' ' ' LEU . 5.9 mmt -67.47 -39.57 85.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 46' ' ' PHE . 5.6 mp -60.49 -53.95 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HE3' ' CE2' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -60.99 -44.91 96.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.543 HD23 ' CB ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -68.73 -31.51 70.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 70' ' ' LYS . 11.3 mt -73.77 -49.34 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -62.91 -41.13 99.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -60.23 148.31 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? 61.69 153.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 106.78 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.69 -179.0 17.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.593 ' HB3' HG23 ' A' ' 69' ' ' THR . 74.6 Cg_exo -50.17 176.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.593 2.195 . . . . 0.0 112.463 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.543 ' CB ' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -88.98 158.98 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -114.31 114.26 25.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.585 ' HB2' HD11 ' A' ' 68' ' ' ILE . 53.7 t -56.16 109.28 1.56 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.02 -7.82 22.26 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.492 2.128 . . . . 0.0 112.713 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.944 HD22 ' ND1' ' A' ' 41' ' ' HIS . 2.8 mp -84.55 -28.46 26.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.697 0.284 . . . . 0.0 111.212 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.8 m -145.87 25.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt 50.38 27.31 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.222 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -167.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -135.72 108.02 7.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 61' ' ' CYS . 1.9 mp -95.61 157.87 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -136.46 145.61 45.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.682 ' HB3' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.76 83.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -179.84 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.539 ' C ' HD22 ' A' ' 73' ' ' LEU . 1.9 m -96.3 37.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.686 HD11 ' SD ' ' A' ' 48' ' ' MET . 3.7 mm? -113.48 110.99 21.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -119.04 113.47 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -62.93 101.17 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.3 m -95.56 124.7 39.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 77' ' ' THR . 94.8 m -83.65 58.22 4.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.8 ' HB2' HD11 ' B' ' 69' ' ' ILE . 6.9 ptt-85 -112.0 -30.64 7.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 m-85 -106.82 28.66 7.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.41 ' CA ' ' HG3' ' A' ' 34' ' ' PRO . 10.0 t -89.22 -62.46 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.484 ' CB ' HD21 ' B' ' 47' ' ' LEU . 22.5 mm-40 -58.05 -31.23 66.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.789 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.68 HD21 ' CB ' ' B' ' 47' ' ' LEU . 80.2 mt -59.96 -56.49 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.875 HG22 ' HB3' ' A' ' 22' ' ' LEU . 20.3 t -59.39 -52.02 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -60.9 -35.54 76.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.65 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.42 -43.18 88.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 18' ' ' MET . 0.7 OUTLIER -57.47 -44.08 84.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.574 179.754 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 30' ' ' LEU . 3.4 mm? -57.84 -30.11 65.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -84.03 -44.2 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.9 mt -63.15 -38.36 81.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.737 HD11 HD12 ' A' ' 86' ' ' LEU . 8.2 mt -72.86 -40.51 60.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.024 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.6 -42.51 96.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.58 ' HB1' ' CG ' ' B' ' 36' ' ' HIS . . . -62.08 -39.2 91.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CE1' HG21 ' A' ' 97' ' ' THR . 65.1 t80 -59.45 -51.82 68.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.89 -30.04 69.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.988 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 92' ' ' ALA . 15.1 mt -59.16 -31.67 69.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.565 ' HB3' HD23 ' A' ' 3' ' ' LEU . 3.9 m-20 -110.13 -68.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.693 ' HB ' HD13 ' A' ' 99' ' ' LEU . 17.4 p -60.23 -40.23 89.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.18 28.16 73.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.693 HD13 ' HB ' ' A' ' 97' ' ' THR . 6.7 mp -92.86 163.27 13.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.17 166.79 9.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.41 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 29.6 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.87 0.367 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.69 ' HB3' HD23 ' B' ' 115' ' ' LEU . 20.5 m95 60.57 36.19 19.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.64 -55.93 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.58 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.08 -30.82 69.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.456 ' OG ' HD21 ' B' ' 115' ' ' LEU . 32.5 t -67.73 -39.67 84.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ttm105 -62.16 -34.42 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.55 -55.41 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.8 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' B' ' 115' ' ' LEU . 40.2 tp -59.77 -56.01 27.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.62 -33.99 72.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 61.3 mtt-85 -59.21 -40.8 86.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.546 HD13 ' SD ' ' A' ' 18' ' ' MET . 7.8 tt -72.04 -31.2 65.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -62.81 -28.44 70.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.02 -30.48 59.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.05 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.68 ' CB ' HD21 ' A' ' 82' ' ' LEU . 3.3 mm? -79.98 -29.98 39.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.754 HD12 ' CD1' ' B' ' 105' ' ' ILE . 3.9 mm? -80.32 -28.45 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.8 121.11 8.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 0.823 ' HB2' HD23 ' B' ' 57' ' ' LEU . 47.0 t -65.51 156.87 31.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.42 ' HB2' ' CE2' ' B' ' 70' ' ' PHE . 1.4 m -77.5 -34.14 54.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.79 -57.48 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.416 ' O ' ' CG2' ' B' ' 54' ' ' THR . 8.6 m -60.57 -19.1 56.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.7 t 45.03 54.32 7.03 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.987 0.422 . . . . 0.0 111.392 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -177.96 -173.53 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.681 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.496 ' CG2' HG23 ' B' ' 105' ' ' ILE . 38.4 mm -58.58 143.83 12.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' B' ' 50' ' ' CYS . 0.2 OUTLIER -123.8 152.95 41.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.04 124.55 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.657 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.427 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 5.0 tt0 54.07 52.51 9.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.665 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.759 ' HG3' HD13 ' B' ' 57' ' ' LEU . 72.9 Cg_endo -75.78 -178.92 4.67 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.653 2.236 . . . . 0.0 112.603 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.791 HG13 ' O ' ' B' ' 96' ' ' LYS . 28.3 t -131.01 145.58 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.792 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 14.9 m -57.97 -97.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.743 HD21 HG23 ' B' ' 79' ' ' ILE . 0.6 OUTLIER 75.53 -53.5 0.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.91 0.386 . . . . 0.0 111.018 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.41 71.08 1.57 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.65 -36.89 40.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.307 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . 0.409 ' HG ' ' CB ' ' B' ' 86' ' ' CYS . 0.8 OUTLIER -55.93 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.524 0.202 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -157.24 23.67 0.3 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.68 0.276 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.429 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 14.5 m170 -116.63 158.94 22.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 111.104 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 78' ' ' ARG . 4.8 mt -148.11 147.95 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.806 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' B' ' 51' ' ' SER . 1.7 m-85 -143.35 175.99 9.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 11.8 m -74.33 -177.05 2.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.644 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.3 OUTLIER -72.24 -38.12 68.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.6 19.11 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.244 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.82 -51.88 4.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.988 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.797 HG23 HD11 ' B' ' 79' ' ' ILE . 27.5 m -81.83 -27.65 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.356 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 69.0 m -46.87 -28.19 1.5 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.367 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -55.34 -27.27 46.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.21 82.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.797 HD11 HG23 ' B' ' 75' ' ' VAL . 33.1 mm -76.61 -34.35 23.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.47 -24.8 25.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.39 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 75.7 m -83.36 -75.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.715 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.97 -113.54 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.399 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.8 t -108.08 134.43 20.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.553 0.216 . . . . 0.0 110.839 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -78.45 -12.24 15.51 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.55 2.166 . . . . 0.0 112.926 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.429 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 19.8 t -107.78 -67.71 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.891 0.377 . . . . 0.0 111.363 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . 0.409 ' CB ' ' HG ' ' B' ' 66' ' ' CYS . 87.6 m -64.77 -15.33 61.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.238 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 64.86 19.79 11.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.474 HG23 ' HD2' ' B' ' 89' ' ' PRO . 90.2 m -83.61 139.66 41.03 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.739 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' B' ' 88' ' ' THR . 45.5 Cg_endo -68.48 144.89 62.85 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.457 2.104 . . . . 0.0 112.183 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.49 97.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -23.1 50.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.626 HD12 ' O ' ' B' ' 94' ' ' ASP . 2.1 pt -108.78 110.09 30.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.1 -31.71 69.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . 0.626 ' O ' HD12 ' B' ' 92' ' ' ILE . 0.5 OUTLIER -104.84 -170.61 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.721 ' HG ' HG21 ' B' ' 61' ' ' VAL . 1.9 tp -105.8 86.22 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.791 ' O ' HG13 ' B' ' 61' ' ' VAL . 0.4 OUTLIER -71.21 171.82 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.452 HD13 ' O ' ' B' ' 96' ' ' LYS . 25.8 mm -129.95 139.09 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -93.88 83.35 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.766 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.07 -30.46 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . 0.436 HE21 HG23 ' A' ' 21' ' ' ILE . 18.0 mm100 -74.61 -51.94 13.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.486 HD13 ' CE1' ' A' ' 79' ' ' PHE . 8.6 tp -59.56 -34.34 72.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.99 -44.42 96.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.733 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 15.9 t -58.15 -32.8 68.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.651 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.602 ' HB2' HD11 ' B' ' 48' ' ' LEU . 6.7 mtp -67.88 -33.37 74.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.702 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.754 ' CD1' HD12 ' B' ' 48' ' ' LEU . 20.6 mm -60.17 -48.45 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.764 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -31.12 61.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.842 HD11 ' HB3' ' A' ' 17' ' ' ALA . 1.7 mm? -70.93 -51.6 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.465 ' SG ' HD22 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -59.74 -32.16 70.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 6.2 t -69.37 -31.46 69.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.52 ' HE3' HG13 ' A' ' 14' ' ' VAL . 10.0 mtpp -63.93 -46.75 83.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.555 ' HG ' HG11 ' A' ' 14' ' ' VAL . 29.6 mt -59.2 -41.96 89.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.28 -41.12 92.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -72.15 -41.82 66.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.497 ' CD1' HG21 ' A' ' 14' ' ' VAL . 21.4 mt -65.3 -33.6 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' B' ' 34' ' ' TRP . 6.0 mt -77.26 -34.42 55.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.26 -74.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.607 HD23 ' CZ2' ' B' ' 34' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.861 0.363 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.658 ' HB2' HD23 ' A' ' 6' ' ' LEU . 7.6 m 61.56 17.86 8.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.243 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.58 22.29 5.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.473 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' A' ' 4' ' ' SER . 2.7 pp -82.19 106.4 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 48.76 28.98 2.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.289 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.654 HG12 HD22 ' A' ' 99' ' ' LEU . 21.6 t -82.21 -30.61 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.121 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -31.55 64.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.734 ' HB3' HD21 ' B' ' 114' ' ' LEU . 3.3 mp0 -64.27 -42.5 96.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.865 HG12 HD11 ' A' ' 15' ' ' ILE . 21.5 t -60.74 -38.4 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -59.68 -40.08 86.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.21 -40.83 91.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.603 ' O ' HD12 ' B' ' 107' ' ' LEU . 23.6 t -70.39 -41.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.865 HD11 HG12 ' A' ' 11' ' ' VAL . 10.5 mt -67.59 -31.9 54.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.86 -52.57 19.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.915 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.82 -39.19 80.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.584 ' HA ' HD12 ' A' ' 21' ' ' ILE . 11.9 ttm -58.37 -42.87 87.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.419 ' N ' HD21 ' A' ' 86' ' ' LEU . 11.2 tt0 -63.36 -36.64 84.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -60.17 -40.72 90.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 18' ' ' MET . 19.3 mt -63.52 -29.79 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.872 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.883 ' HB3' HG22 ' A' ' 83' ' ' VAL . 4.2 mt -110.44 30.39 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.592 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -92.59 -165.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.463 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 11.3 t -111.37 138.49 21.38 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -93.04 12.94 1.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.909 2.406 . . . . 0.0 114.044 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.784 HD11 ' SG ' ' A' ' 47' ' ' CYS . 2.0 pp -141.4 -53.64 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.671 ' N ' HD12 ' A' ' 26' ' ' ILE . 26.7 p -105.16 -1.66 25.2 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 57.5 33.05 22.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.473 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 14.6 mm-40 -109.66 126.38 53.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.621 0.248 . . . . 0.0 110.727 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.675 HD23 HD11 ' A' ' 87' ' ' LEU . 11.4 tp -40.05 98.03 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.027 0.441 . . . . 0.0 111.248 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.835 HG22 ' SG ' ' A' ' 44' ' ' CYS . 37.5 pt -47.8 137.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.778 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.87 -38.13 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.623 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.721 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.6 tp10 -114.09 81.25 6.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.551 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HG2' ' N ' ' A' ' 80' ' ' SER . 71.7 Cg_exo -48.14 101.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.695 2.263 . . . . 0.0 112.732 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 33' ' ' GLU . 40.9 t -105.1 120.85 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.762 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 3.4 t -89.06 108.4 19.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.12 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.453 HG22 ' HE2' ' A' ' 48' ' ' MET . 63.6 p -78.88 162.72 25.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -47.12 -28.15 1.67 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.931 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.6 m -91.43 21.21 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 111.421 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 t70 56.2 54.65 7.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.824 0.345 . . . . 0.0 111.307 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.968 ' ND1' HD22 ' A' ' 63' ' ' LEU . 92.5 m-70 -126.8 142.15 51.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.458 HD11 ' NH2' ' A' ' 78' ' ' ARG . 38.5 mm -91.58 129.83 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.333 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -128.19 -176.62 3.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.835 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.6 m -104.17 23.78 12.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.943 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.699 ' HA ' HG21 ' A' ' 35' ' ' VAL . 6.1 tptm 69.3 -65.58 0.29 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.094 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.745 ' HA ' HD13 ' A' ' 49' ' ' LEU . 15.6 t80 -58.19 -28.69 65.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.784 ' SG ' HD11 ' A' ' 26' ' ' ILE . 57.7 m -56.92 -39.81 75.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.058 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.453 ' HE2' HG22 ' A' ' 37' ' ' THR . 39.8 mmm -67.42 -33.2 74.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 46' ' ' PHE . 3.9 mp -63.89 -53.77 45.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.709 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -66.85 -37.52 84.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.757 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 tp -60.98 -37.25 81.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 70' ' ' LYS . 18.7 mt -80.08 -31.27 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.776 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -60.41 -53.43 57.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -75.9 63.88 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.78 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 tptt 179.57 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.968 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.88 19.55 10.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.079 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.24 -163.64 13.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.518 ' HB3' HG22 ' A' ' 69' ' ' THR . 53.7 Cg_exo -52.05 130.51 35.24 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.48 2.12 . . . . 0.0 112.283 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.435 ' OG ' HD21 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -57.77 170.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.22 103.26 5.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.408 ' N ' ' HA ' ' A' ' 66' ' ' ASN . 13.1 t -47.2 108.99 0.96 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.441 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.9 -3.92 14.49 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.369 2.046 . . . . 0.0 112.407 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.968 HD22 ' ND1' ' A' ' 41' ' ' HIS . 1.8 mp -83.28 -34.81 25.68 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.089 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 p -116.74 -54.87 2.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.984 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 pttp 172.63 -35.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.031 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.408 ' HA ' ' N ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER 166.96 137.5 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.4 41.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.941 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.4 mt -144.27 153.6 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.077 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 58' ' ' PRO . 14.5 p -127.58 -178.42 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.446 ' HA ' HD13 ' A' ' 52' ' ' LEU . 15.3 mmtp -60.1 -32.2 70.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -135.91 91.51 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 m -163.56 31.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 mt -91.48 172.01 8.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -135.08 85.96 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.25 103.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.57 -175.98 4.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.721 HG23 ' OG ' ' A' ' 80' ' ' SER . 78.5 m -151.9 79.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.601 ' CB ' HD11 ' B' ' 69' ' ' ILE . 26.7 ptt180 -117.89 -43.65 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.894 ' O ' HG23 ' A' ' 83' ' ' VAL . 5.3 m-85 -86.04 -11.28 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.372 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.721 ' OG ' HG23 ' A' ' 77' ' ' THR . 0.8 OUTLIER -54.97 -51.4 66.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.831 0.348 . . . . 0.0 111.046 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.667 ' HB2' HD22 ' B' ' 47' ' ' LEU . 31.3 mt-30 -65.46 -31.42 72.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.863 HD22 ' SD ' ' B' ' 104' ' ' MET . 2.2 mt -73.98 -32.75 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 79' ' ' PHE . 40.0 t -77.01 -39.03 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -73.66 -47.74 37.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -58.11 -40.68 81.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD12 HD12 ' A' ' 89' ' ' ILE . 15.0 tp -58.5 -45.42 88.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.757 ' HA ' HD12 ' A' ' 90' ' ' ILE . 15.0 mt -55.97 -32.68 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.729 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -72.22 -34.15 68.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.706 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.787 HG12 ' HB1' ' B' ' 40' ' ' ALA . 56.2 mt -67.29 -36.6 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.7 mt -71.21 -43.13 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 89.7 m -60.11 -44.62 94.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.484 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -60.39 -34.84 74.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.65 -53.73 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.57 -29.81 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.96 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -44.78 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -95.71 -68.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.69 ' HB ' HD13 ' A' ' 99' ' ' LEU . 14.3 p -61.99 -55.87 24.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.72 27.28 32.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.545 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.69 HD13 ' HB ' ' A' ' 97' ' ' THR . 9.8 mp -87.54 162.46 17.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.17 160.5 29.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.611 ' CD2' HG21 ' A' ' 90' ' ' ILE . 29.2 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.881 0.372 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.607 ' CZ2' HD23 ' A' ' 3' ' ' LEU . 17.7 m95 60.13 31.63 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.86 -64.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.484 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -61.31 -31.05 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.475 ' HB3' HD21 ' B' ' 115' ' ' LEU . 0.3 OUTLIER -63.58 -31.42 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.51 ' N ' HD21 ' B' ' 115' ' ' LEU . 9.2 ttt180 -72.36 -41.66 66.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.52 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.787 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -74.71 -38.15 62.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.646 HD13 HD23 ' B' ' 111' ' ' LEU . 32.2 tp -59.96 -53.13 61.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.04 -32.96 71.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -60.28 -33.54 72.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.94 -34.56 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.93 -36.53 74.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -27.02 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.667 HD22 ' HB2' ' A' ' 81' ' ' GLN . 9.3 mt -84.89 -23.57 28.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.843 HD13 HD13 ' B' ' 105' ' ' ILE . 30.3 mt -96.32 -24.96 15.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.223 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 120.75 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 111.023 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 40.8 t -57.8 156.31 8.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.424 ' HB3' ' CE2' ' B' ' 70' ' ' PHE . 9.4 t -82.78 -31.41 28.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -100.67 -60.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 70.7 m -61.14 -19.15 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.194 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 10.2 t 44.8 52.05 8.13 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.966 0.413 . . . . 0.0 111.366 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -156.17 -176.17 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.55 ' CG2' HG23 ' B' ' 105' ' ' ILE . 36.0 mm -64.54 123.94 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' B' ' 60' ' ' PRO . 12.2 mt -59.19 152.05 21.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -154.73 100.95 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.0 tt0 55.71 52.19 7.3 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.665 ' HB3' HD22 ' B' ' 57' ' ' LEU . 65.7 Cg_endo -73.89 -173.82 1.52 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.613 2.209 . . . . 0.0 112.657 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.815 HG13 ' O ' ' B' ' 96' ' ' LYS . 22.1 t -137.66 146.29 27.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.038 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.482 ' O ' HD13 ' B' ' 92' ' ' ILE . 8.4 t -85.17 114.03 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.812 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.731 HD23 HD13 ' B' ' 79' ' ' ILE . 0.4 OUTLIER -57.18 -54.8 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -108.77 0.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.538 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.6 34.48 1.7 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 2.7 p -117.02 30.28 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 65.59 14.07 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.435 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.417 ' CE1' ' HG ' ' B' ' 83' ' ' CYS . 0.0 OUTLIER -88.7 123.34 33.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 110.798 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.601 HD11 ' CB ' ' A' ' 78' ' ' ARG . 8.4 mt -140.66 128.73 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.453 ' HB2' HG13 ' B' ' 75' ' ' VAL . 3.3 m-85 -148.25 173.6 12.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 20.8 m -59.33 -176.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.603 ' HA ' HG23 ' B' ' 61' ' ' VAL . 21.8 p -94.69 26.1 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -148.9 20.02 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.192 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 m -116.12 -64.79 1.26 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.669 HG23 HG13 ' B' ' 79' ' ' ILE . 32.7 m -61.37 -23.55 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.581 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.9 t -46.24 -25.34 0.6 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.812 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -87.81 22.84 2.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.706 0.288 . . . . 0.0 111.297 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.91 38.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.988 0.423 . . . . 0.0 110.34 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.731 HD13 HD23 ' B' ' 63' ' ' LEU . 1.5 mm -120.47 157.09 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.861 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . 0.412 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 84.72 25.77 40.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.173 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.4 m -162.2 -44.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.81 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.34 138.03 3.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.414 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . 0.417 ' HG ' ' CE1' ' B' ' 68' ' ' HIS . 42.5 t -72.71 114.27 28.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.622 0.248 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.01 -1.25 11.43 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.445 2.097 . . . . 0.0 112.641 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.34 -28.34 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.798 0.332 . . . . 0.0 111.195 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 57.3 m -106.18 -19.24 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 67.07 49.7 1.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 73.7 m -140.1 140.04 22.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.11 162.77 3.79 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.421 2.081 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.0 84.6 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.81 -25.92 61.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.482 HD13 ' O ' ' B' ' 62' ' ' CYS . 0.9 OUTLIER -79.56 85.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -59.57 -31.36 69.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -115.79 157.24 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.598 HD12 HG21 ' B' ' 61' ' ' VAL . 4.3 mm? -67.5 75.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.815 ' O ' HG13 ' B' ' 61' ' ' VAL . 32.7 mttt -60.86 175.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.469 HD13 ' O ' ' B' ' 96' ' ' LYS . 25.0 mm -130.73 139.26 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.203 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.18 94.82 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.784 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -58.93 -30.85 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . 0.462 ' NE2' HG23 ' A' ' 21' ' ' ILE . 3.7 mm-40 -72.46 -47.38 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.52 HD12 HD13 ' B' ' 57' ' ' LEU . 2.7 mm? -61.06 -46.79 89.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.644 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -60.76 -46.37 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . 0.442 ' O ' HD23 ' B' ' 107' ' ' LEU . 6.8 t -59.92 -34.28 73.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.863 ' SD ' HD22 ' A' ' 82' ' ' LEU . 1.4 mtp -62.72 -32.4 73.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.644 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.843 HD13 HD13 ' B' ' 48' ' ' LEU . 27.2 mm -65.28 -51.42 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -64.08 -31.21 72.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.915 HD11 ' HB3' ' A' ' 17' ' ' ALA . 2.2 mm? -65.54 -51.95 56.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.513 ' SG ' HD11 ' B' ' 41' ' ' LEU . 51.9 t -61.87 -30.02 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 31.0 t -59.15 -47.01 86.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.693 ' O ' HD13 ' B' ' 114' ' ' LEU . 9.0 mtmt -59.94 -49.78 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.679 HD11 HG13 ' A' ' 11' ' ' VAL . 3.6 tp -57.6 -36.34 71.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -65.96 -45.8 80.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -70.74 -39.26 73.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.734 HD21 ' HB3' ' A' ' 10' ' ' GLU . 9.2 mp -60.09 -43.8 95.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.51 HD21 ' N ' ' B' ' 38' ' ' ARG . 2.5 mp -61.01 -38.12 84.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -60.01 -72.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.628 HD22 HG23 ' A' ' 97' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.788 0.328 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.443 ' HB2' HD23 ' A' ' 6' ' ' LEU . 0.6 OUTLIER 62.55 15.66 8.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.292 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 54.18 21.33 3.0 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' B' ' 33' ' ' ALA . 1.9 pp -74.05 99.61 3.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.896 0.379 . . . . 0.0 110.285 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' GLU . 19.4 mtt180 63.7 -84.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.327 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.7 t 61.09 -73.83 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.511 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ARG . 2.7 pt-20 -46.49 -29.8 1.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.323 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.6 ' HB3' HD21 ' B' ' 114' ' ' LEU . 3.3 mp0 -65.5 -58.32 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.746 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.604 HG21 ' CZ3' ' B' ' 34' ' ' TRP . 23.8 t -58.36 -41.22 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -43.38 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -59.99 -35.95 76.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.76 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.013 HG13 HD23 ' B' ' 107' ' ' LEU . 38.0 t -66.89 -28.41 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.433 HG22 ' CE1' ' A' ' 101' ' ' TYR . 13.2 mm -72.41 -31.28 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.007 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -74.43 -50.34 18.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.755 ' HB1' HD11 ' B' ' 107' ' ' LEU . . . -58.78 -42.74 89.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.786 ' HG2' HD21 ' A' ' 86' ' ' LEU . 2.1 tpp -64.45 -43.26 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -64.25 -40.64 96.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.018 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -55.96 -28.38 56.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 18' ' ' MET . 27.3 mt -67.55 -29.24 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.776 HD23 HG22 ' A' ' 83' ' ' VAL . 10.5 mp -115.25 28.2 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.65 -168.29 2.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.756 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 10.2 t -115.03 134.45 22.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -93.12 10.37 2.24 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.883 2.389 . . . . 0.0 114.114 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 27' ' ' CYS . 2.2 pp -132.47 -38.86 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.34 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.507 ' HB3' HD12 ' A' ' 26' ' ' ILE . 28.3 p -128.09 4.47 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.594 0.235 . . . . 0.0 111.633 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 53.79 31.03 12.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.515 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -102.2 120.78 41.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.836 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.725 ' CD2' HD21 ' A' ' 87' ' ' LEU . 12.1 tp -37.82 101.56 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.844 HG22 ' SG ' ' A' ' 44' ' ' CYS . 1.1 pp -53.84 108.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.904 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.61 -37.25 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.489 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.7 mt-10 -111.72 94.19 22.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.466 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 33' ' ' GLU . 23.4 Cg_endo -61.72 111.2 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.439 2.092 . . . . 0.0 112.31 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.718 HG11 HD12 ' A' ' 73' ' ' LEU . 27.0 t -117.42 123.23 71.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.993 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 p -87.79 104.07 16.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.4 p -70.38 162.55 28.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HG3' ' CH2' ' B' ' 91' ' ' TRP . 7.5 ttpt -47.45 -26.38 1.34 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.699 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.7 t -91.55 23.63 3.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.399 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.2 t70 55.11 36.78 27.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.363 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.933 ' ND1' HD22 ' A' ' 63' ' ' LEU . 37.8 m-70 -114.07 149.43 35.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.028 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mm -88.6 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.283 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -151.44 -177.28 5.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.776 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.844 ' SG ' HG22 ' A' ' 31' ' ' ILE . 6.7 m -100.7 22.95 11.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.64 ' CA ' HG21 ' A' ' 35' ' ' VAL . 4.9 tttm 68.01 -67.9 0.18 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.6 -26.7 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.442 ' SG ' HD11 ' A' ' 26' ' ' ILE . 75.7 m -54.46 -29.12 48.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.067 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.714 ' SD ' HD22 ' A' ' 73' ' ' LEU . 5.3 mmt -69.12 -38.03 78.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.5 mp -61.95 -42.56 99.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -74.22 -33.22 63.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' A' ' 59' ' ' SER . 5.8 tp -75.31 -52.57 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.88 -31.35 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -82.22 -32.59 29.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -62.24 121.35 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm 60.13 -177.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.19 161.63 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.28 -176.86 52.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.578 ' HB3' HG22 ' A' ' 69' ' ' THR . 59.0 Cg_exo -51.64 -178.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.633 2.222 . . . . 0.0 112.3 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.536 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -82.83 -31.42 28.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 62.2 117.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.496 ' CB ' HD11 ' A' ' 68' ' ' ILE . 9.5 t -68.58 114.81 24.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.518 ' HD3' HD21 ' A' ' 51' ' ' LEU . 61.2 Cg_endo -72.65 -7.13 20.3 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.413 2.076 . . . . 0.0 112.582 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.933 HD22 ' ND1' ' A' ' 41' ' ' HIS . 5.3 mp -78.16 -30.65 49.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.062 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 11.1 p -151.36 25.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.238 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.76 34.45 21.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 61' ' ' CYS . 3.2 t30 -75.04 -167.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.836 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -128.0 103.6 7.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.496 HD11 ' CB ' ' A' ' 61' ' ' CYS . 16.0 mt -107.71 139.72 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.578 HG22 ' HB3' ' A' ' 58' ' ' PRO . 20.9 p -137.15 160.86 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -59.9 161.7 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.0 46.87 7.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -143.93 -62.01 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.718 HD12 HG11 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -59.92 167.77 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -157.18 164.17 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.56 100.99 13.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.8 p -113.71 115.59 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.499 HG23 ' OG ' ' A' ' 80' ' ' SER . 88.3 m -67.84 74.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.523 ' HD3' HD11 ' B' ' 69' ' ' ILE . 4.1 mtt85 -112.93 -35.83 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.783 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.614 ' O ' HG23 ' A' ' 83' ' ' VAL . 7.2 m-85 -127.9 46.49 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.695 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.499 ' OG ' HG23 ' A' ' 77' ' ' THR . 94.5 p -97.26 -71.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.717 ' HB2' HD11 ' B' ' 47' ' ' LEU . 32.0 mm-40 -59.28 -20.94 58.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.726 ' CB ' HD21 ' A' ' 22' ' ' LEU . 4.3 mt -73.23 -30.5 63.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.762 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.776 HG22 HD23 ' A' ' 22' ' ' LEU . 22.5 t -79.4 -40.33 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.96 -46.08 72.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -37.7 80.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.714 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.786 HD21 ' HG2' ' A' ' 18' ' ' MET . 0.1 OUTLIER -57.29 -45.0 84.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.748 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.725 HD21 ' CD2' ' A' ' 30' ' ' LEU . 28.4 mt -60.2 -35.78 76.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -68.13 -39.51 82.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 86' ' ' LEU . 19.3 mt -63.87 -40.97 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 87' ' ' LEU . 5.4 mt -67.26 -39.24 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.2 m -60.17 -39.61 87.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.71 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.87 90.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.88 -27.28 66.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -85.79 -26.51 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.74 -67.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -88.13 -62.43 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.628 HG23 HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -55.56 -41.67 73.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 57.47 27.22 58.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.766 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.566 HD23 ' HB ' ' A' ' 97' ' ' THR . 4.5 mm? -76.33 -177.47 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.346 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.69 133.38 42.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CD2' HG21 ' A' ' 90' ' ' ILE . 70.9 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.879 ' HB2' HD21 ' A' ' 6' ' ' LEU . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.676 ' HB3' HD23 ' B' ' 115' ' ' LEU . 1.8 m95 59.47 44.41 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.49 -69.32 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.409 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -68.2 -31.34 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.409 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 1.5 m -73.83 -34.55 64.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.482 ' CB ' HD22 ' B' ' 115' ' ' LEU . 29.3 ttt180 -60.11 -46.72 88.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.95 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.487 ' HB1' ' CG1' ' A' ' 89' ' ' ILE . . . -60.13 -40.85 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.056 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.731 HD22 ' CD1' ' B' ' 115' ' ' LEU . 10.0 tp -59.41 -42.92 92.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.14 -31.3 69.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -61.82 -53.61 53.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.691 HD11 ' HE2' ' B' ' 104' ' ' MET . 7.6 tt -61.33 -31.1 70.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -59.67 -37.83 79.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -30.69 66.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 81' ' ' GLN . 3.7 mm? -73.88 -32.7 63.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.499 HD21 ' SD ' ' B' ' 104' ' ' MET . 3.4 mm? -79.64 -20.48 46.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 123.5 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -59.83 155.3 16.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -33.73 60.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.449 ' NH1' ' CE1' ' B' ' 70' ' ' PHE . 10.5 mpt_? -102.16 -59.32 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' THR . 72.7 m -60.83 -19.45 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.2 t 44.6 47.27 8.54 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.867 0.365 . . . . 0.0 111.288 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -151.59 -175.69 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 37.7 mm -60.66 120.28 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.781 ' O ' HD13 ' B' ' 105' ' ' ILE . 8.9 mt -58.79 158.1 8.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 101.35 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.649 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.3 tt0 54.05 51.76 8.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.637 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.696 ' HB3' HD22 ' B' ' 57' ' ' LEU . 74.0 Cg_endo -75.4 -168.53 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.562 2.174 . . . . 0.0 112.62 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.86 HG13 ' O ' ' B' ' 96' ' ' LYS . 22.8 t -151.7 140.01 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.566 ' O ' HG21 ' B' ' 75' ' ' VAL . 23.6 m -58.37 -168.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.704 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.718 ' CD2' HG23 ' B' ' 75' ' ' VAL . 0.2 OUTLIER -120.41 -68.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.061 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.41 -109.37 0.23 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.635 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.46 29.35 7.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 21.1 p -116.21 -145.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -135.09 43.34 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 110.975 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.44 ' CE1' ' HG ' ' B' ' 86' ' ' CYS . 19.9 m170 -123.64 146.73 47.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.523 HD11 ' HD3' ' A' ' 78' ' ' ARG . 9.0 mt -148.78 141.81 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.916 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CE1' ' NH1' ' B' ' 52' ' ' ARG . 1.1 m-85 -150.51 160.44 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.528 ' O ' HG12 ' B' ' 75' ' ' VAL . 31.2 p -59.02 162.01 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p -57.8 -21.27 41.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.283 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -99.34 20.43 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.486 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 m -142.85 -53.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 1.111 HG22 HD11 ' B' ' 79' ' ' ILE . 14.8 p -59.97 -39.33 79.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.29 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.404 ' HA ' ' CG1' ' B' ' 79' ' ' ILE . 10.3 t -55.59 -21.82 19.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.355 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -49.96 -26.82 4.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.41 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 50.4 m -153.25 76.68 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 111.324 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 1.111 HD11 HG22 ' B' ' 75' ' ' VAL . 43.6 mm -125.61 158.16 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.001 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . 0.494 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 77.32 25.45 63.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.341 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 82.1 m -158.72 -45.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.94 139.27 3.68 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.537 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.4 t -57.51 134.82 82.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.644 0.259 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.43 -22.07 9.74 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.513 2.142 . . . . 0.0 112.66 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 13.3 t -89.1 -28.99 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.292 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . 0.44 ' HG ' ' CE1' ' B' ' 68' ' ' HIS . 20.6 m -98.85 -23.1 15.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 62.47 37.62 13.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 3.9 m -119.63 135.85 24.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.29 142.97 55.16 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.468 2.112 . . . . 0.0 112.255 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.14 90.22 4.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . 0.419 ' CH2' ' HG3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -58.54 -25.27 62.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.415 HD11 ' O ' ' B' ' 63' ' ' LEU . 1.2 pt -99.85 88.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.178 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -29.09 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -106.91 142.82 35.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.776 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.81 80.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.86 ' O ' HG13 ' B' ' 61' ' ' VAL . 12.9 mmtt -71.29 139.67 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.802 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 35.0 mt -104.12 135.25 42.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.313 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -97.86 92.42 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.651 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -28.96 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.34 -51.94 63.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.1 -48.51 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.752 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -65.27 -47.22 77.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.786 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 35.4 t -55.38 -31.16 61.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.707 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.691 ' HE2' HD11 ' B' ' 44' ' ' LEU . 17.9 ttm -71.38 -33.2 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.691 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.781 HD13 ' O ' ' B' ' 57' ' ' LEU . 45.1 mt -57.84 -48.84 82.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.72 -39.76 89.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.478 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 1.013 HD23 HG13 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -63.89 -45.82 87.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.606 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.32 -36.78 71.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.582 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -34.48 77.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.445 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.741 ' HE3' HG22 ' A' ' 14' ' ' VAL . 40.4 mtmt -58.64 -51.88 68.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.666 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.59 ' CB ' HD13 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -59.93 -34.91 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.765 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -59.72 -44.59 93.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -75.48 -33.01 60.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.661 HD13 ' O ' ' B' ' 110' ' ' LYS . 9.7 mp -72.32 -31.64 65.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.731 ' CD1' HD22 ' B' ' 41' ' ' LEU . 6.3 mt -74.17 -31.58 62.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -69.46 -74.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.899 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' B' ' 34' ' ' TRP . 3.5 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.625 ' OG ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 55.05 21.7 3.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.42 22.9 3.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.702 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.6 pp -87.39 83.99 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 55.56 79.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.564 HG12 HD22 ' A' ' 99' ' ' LEU . 21.6 t -126.51 -44.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -50.61 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -61.19 -28.27 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.546 ' O ' HD12 ' A' ' 15' ' ' ILE . 34.9 t -69.65 -30.72 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -71.87 -36.2 70.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -64.55 -40.02 94.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.614 ' CG1' HD13 ' B' ' 111' ' ' LEU . 24.3 t -59.41 -56.17 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.546 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.8 mt -56.66 -29.8 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.201 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -63.0 -58.39 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.688 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.53 -31.64 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.785 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.693 ' HG2' HD13 ' A' ' 86' ' ' LEU . 6.4 tpp -64.61 -35.36 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.464 ' HA ' HD23 ' A' ' 86' ' ' LEU . 5.7 tt0 -68.13 -32.81 73.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -59.53 -40.43 87.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.723 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.847 HD13 ' HG2' ' B' ' 104' ' ' MET . 4.9 mt -66.1 -31.39 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.851 HD12 HG22 ' A' ' 83' ' ' VAL . 3.9 mm? -107.17 31.03 5.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -99.17 -170.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.38 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.4 t -111.5 141.47 24.59 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.704 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.449 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 68.7 Cg_endo -93.25 -9.42 2.04 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.825 2.35 . . . . 0.0 114.638 -178.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 27' ' ' CYS . 2.1 pt -131.62 -32.62 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.451 ' N ' HG13 ' A' ' 26' ' ' ILE . 9.9 m -105.81 -13.51 15.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.665 0.269 . . . . 0.0 111.453 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 3.4 mm? 59.3 27.46 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.829 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 9.6 pt-20 -113.05 126.85 55.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 87' ' ' LEU . 12.0 tp -38.33 100.82 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.446 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.905 HG22 ' HB3' ' A' ' 44' ' ' CYS . 28.7 pt -50.71 141.43 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.748 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.19 -39.86 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.705 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 35' ' ' VAL . 13.1 mp0 -110.46 93.48 16.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' CB ' ' A' ' 80' ' ' SER . 78.4 Cg_exo -48.33 120.94 5.54 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.575 2.183 . . . . 0.0 112.779 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.821 HG21 ' HA ' ' A' ' 45' ' ' LYS . 40.4 t -127.36 123.82 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.49 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 14.3 p -105.51 130.76 53.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.926 0.393 . . . . 0.0 111.576 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.459 HG22 ' HE3' ' A' ' 48' ' ' MET . 13.6 p -96.5 163.72 12.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.514 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HG2' ' CZ2' ' B' ' 91' ' ' TRP . 4.6 mttp -47.18 -26.17 1.09 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.098 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.79 10.02 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.2 t70 63.58 44.93 4.92 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.027 0.442 . . . . 0.0 110.478 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.727 ' ND1' HD22 ' A' ' 63' ' ' LEU . 26.7 m170 -108.17 -173.63 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.999 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 41' ' ' HIS . 25.8 mm -133.22 154.07 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.27 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CE2' ' HG2' ' A' ' 25' ' ' PRO . 63.3 m-85 -153.37 174.28 14.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.905 ' HB3' HG22 ' A' ' 31' ' ' ILE . 18.8 p -97.79 27.7 4.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.821 ' HA ' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER 62.87 144.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.835 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.4 t80 74.7 4.13 4.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.504 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 26' ' ' ILE . 85.2 m -76.97 -32.82 57.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.981 0.419 . . . . 0.0 110.585 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.459 ' HE3' HG22 ' A' ' 37' ' ' THR . 12.4 mmt -65.84 -42.6 90.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.509 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.32 -45.76 92.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.537 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -76.15 -31.9 58.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.73 -31.14 64.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 70' ' ' LYS . 1.1 mp -88.54 -35.71 16.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -73.76 -34.63 64.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -58.73 -31.23 68.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -97.66 -176.82 3.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 18.06 19.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.95 -154.54 9.07 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.617 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.87 ' HB3' HG22 ' A' ' 69' ' ' THR . 88.3 Cg_exo -47.53 144.68 9.99 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.806 2.338 . . . . 0.0 112.576 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -171.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.769 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -165.33 104.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 45.9 t -45.38 104.29 0.39 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.57 -12.03 34.13 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.452 2.101 . . . . 0.0 112.566 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.727 HD22 ' ND1' ' A' ' 41' ' ' HIS . 5.6 mp -79.16 -30.57 43.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.6 m -118.69 -61.27 1.67 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.77 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 pttp 172.54 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 173.35 137.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 169.35 39.07 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.4 mt -151.94 143.59 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.99 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.87 HG22 ' HB3' ' A' ' 58' ' ' PRO . 21.5 p -148.62 36.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HB2' HD22 ' A' ' 52' ' ' LEU . 18.6 ttmm 59.28 162.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 59.42 71.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -172.04 -56.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.403 ' CD1' ' HG3' ' A' ' 48' ' ' MET . 0.3 OUTLIER -59.54 -178.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -173.06 138.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.793 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.03 101.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -101.8 169.98 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.1 m -110.7 72.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.844 ' CD ' HD11 ' B' ' 69' ' ' ILE . 0.5 OUTLIER -118.76 -64.28 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.591 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.4 m-85 -97.52 37.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.412 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -87.55 -69.8 0.66 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.595 ' HB2' HD11 ' B' ' 47' ' ' LEU . 25.0 mt-30 -63.32 -28.01 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.747 ' HG ' HD22 ' B' ' 47' ' ' LEU . 15.3 mt -59.32 -30.98 68.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.865 0.364 . . . . 0.0 110.632 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.851 HG22 HD12 ' A' ' 22' ' ' LEU . 21.9 t -78.51 -52.77 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.939 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.04 -37.72 88.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.798 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -59.05 -47.83 83.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.815 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.752 ' HA ' HD12 ' A' ' 89' ' ' ILE . 16.3 tp -58.62 -47.08 85.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 90' ' ' ILE . 7.5 tp -54.14 -30.32 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -75.84 -31.16 59.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 86' ' ' LEU . 30.9 mt -69.02 -31.68 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.714 HG21 ' CD2' ' A' ' 101' ' ' TYR . 4.5 mt -78.39 -39.65 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.83 -50.9 72.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' B' ' 36' ' ' HIS . . . -59.51 -47.9 83.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' A' ' 97' ' ' THR . 2.9 t80 -59.55 -47.38 85.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.33 -30.69 69.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -47.83 84.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.4 -66.64 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.712 ' HB ' HD13 ' A' ' 99' ' ' LEU . 16.4 p -66.44 -54.1 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.77 28.36 73.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.55 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 97' ' ' THR . 7.0 mp -79.17 167.08 21.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.13 144.07 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.714 ' CD2' HG21 ' A' ' 90' ' ' ILE . 15.0 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.679 ' HB1' HD11 ' A' ' 3' ' ' LEU . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.775 0.322 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.724 ' HB2' HD21 ' A' ' 3' ' ' LEU . 72.0 t-105 60.34 92.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -174.17 -41.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.592 ' HB2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.37 -29.45 66.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -74.16 -31.61 62.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.65 ' HA ' HD21 ' B' ' 115' ' ' LEU . 0.3 OUTLIER -60.53 -53.03 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.32 87.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.624 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -65.97 -32.69 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.627 HD21 ' SG ' ' B' ' 108' ' ' CYS . 9.5 tt -58.06 -45.76 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -65.86 -32.49 74.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.784 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -60.51 -31.47 70.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tt -75.46 -40.15 57.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -59.98 -25.29 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -32.24 56.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.06 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.747 HD22 ' HG ' ' A' ' 82' ' ' LEU . 4.0 mp -95.22 17.71 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.501 ' CD1' HD11 ' B' ' 101' ' ' LEU . 0.9 OUTLIER -129.1 -40.87 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.062 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.13 105.62 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.864 0.364 . . . . 0.0 110.988 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 41.1 t -51.02 153.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.274 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -85.97 -31.29 22.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.451 ' CD ' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -88.12 -58.61 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.404 ' O ' ' CG2' ' B' ' 54' ' ' THR . 91.1 m -68.41 -13.15 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.392 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.5 t 44.62 50.51 8.38 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.991 0.424 . . . . 0.0 111.321 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -169.12 -165.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.762 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.489 HG22 ' N ' ' B' ' 57' ' ' LEU . 40.3 mm -57.52 158.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' B' ' 60' ' ' PRO . 13.1 mt -98.27 164.36 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -169.28 113.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.486 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 4.7 tt0 47.73 51.02 9.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.629 ' HB3' HD22 ' B' ' 57' ' ' LEU . 73.6 Cg_endo -76.78 177.49 8.79 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.644 2.229 . . . . 0.0 112.689 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.796 HG13 ' O ' ' B' ' 96' ' ' LYS . 38.2 t -136.46 138.58 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.566 ' O ' HD11 ' B' ' 92' ' ' ILE . 0.8 OUTLIER -59.0 168.45 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.502 HD23 ' CE1' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -99.56 -54.57 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.18 -105.94 0.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.557 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.0 38.42 2.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.77 -145.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -128.1 42.59 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.416 ' CG ' ' HG ' ' B' ' 86' ' ' CYS . 32.8 m170 -131.01 141.68 50.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.844 HD11 ' CD ' ' A' ' 78' ' ' ARG . 13.9 mt -141.81 147.68 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.502 ' CE1' HD23 ' B' ' 63' ' ' LEU . 8.5 m-85 -146.07 170.86 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 111.039 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.6 m -61.2 178.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.65 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.4 OUTLIER -70.76 -30.36 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -94.71 17.62 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.232 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 51.3 m -101.19 -65.89 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.1 -29.67 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -48.81 -27.94 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.281 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -47.03 65.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 50.2 m -138.51 57.06 1.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.756 HD11 HD12 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -95.89 139.66 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.359 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . 0.446 ' HA2' ' HB3' ' B' ' 90' ' ' ALA . . . 112.38 -28.8 8.79 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.808 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.3 t -76.36 -28.54 56.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 110.601 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' B' ' 89' ' ' PRO . . . 104.38 139.12 9.91 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.495 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.42 127.61 77.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.594 0.235 . . . . 0.0 110.973 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -78.54 -16.35 13.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.57 2.18 . . . . 0.0 112.606 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 26.3 t -89.51 -28.63 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . 0.416 ' HG ' ' CG ' ' B' ' 68' ' ' HIS . 16.1 m -94.81 -18.58 21.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.216 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 65.21 36.79 6.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.457 HG23 ' HD2' ' B' ' 89' ' ' PRO . 89.7 m -132.63 139.33 34.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.751 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . 0.457 ' HD2' HG23 ' B' ' 88' ' ' THR . 49.1 Cg_endo -69.0 143.64 55.22 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.449 2.099 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.446 ' HB3' ' HA2' ' B' ' 80' ' ' GLY . . . -65.81 91.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . 0.411 ' CZ2' ' HG2' ' A' ' 38' ' ' LYS . 51.6 t90 -57.51 -23.37 49.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.756 HD12 HD11 ' B' ' 79' ' ' ILE . 1.1 pt -96.61 85.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -58.48 -27.57 64.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -99.74 164.98 11.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.623 ' CD1' HG11 ' B' ' 61' ' ' VAL . 3.9 mm? -82.44 73.35 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.796 ' O ' HG13 ' B' ' 61' ' ' VAL . 11.1 mttt -69.7 137.5 52.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mt -110.64 134.84 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -93.44 90.22 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -56.58 -29.05 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.19 -55.28 19.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' B' ' 48' ' ' LEU . 11.3 tp -59.97 -30.97 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.8 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.786 ' HA ' HD12 ' B' ' 105' ' ' ILE . 2.2 m-20 -64.81 -50.76 65.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.664 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -60.7 -31.85 71.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.72 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.847 ' HG2' HD13 ' A' ' 21' ' ' ILE . 2.4 mtp -60.26 -42.53 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' B' ' 102' ' ' ASP . 4.8 mt -59.73 -57.02 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.009 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -57.89 -32.11 67.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.678 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.727 HD13 ' HE2' ' B' ' 110' ' ' LYS . 0.3 OUTLIER -61.02 -53.01 62.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.726 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.627 ' SG ' HD21 ' B' ' 41' ' ' LEU . 52.6 t -57.71 -31.7 66.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.769 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -39.66 85.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.727 ' HE2' HD13 ' B' ' 107' ' ' LEU . 39.3 mtmt -62.21 -48.63 79.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.618 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' B' ' 114' ' ' LEU . 2.8 tp -60.28 -37.3 80.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -59.54 -38.49 81.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -68.53 -33.43 74.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' B' ' 111' ' ' LEU . 4.4 mt -75.55 -30.94 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.65 HD21 ' HA ' ' B' ' 38' ' ' ARG . 8.5 mp -74.59 -30.94 61.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -133.0 109.73 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.887 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.754 HD22 ' CZ3' ' B' ' 34' ' ' TRP . 5.1 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.015 0.436 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 m 64.16 15.4 9.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.349 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.72 23.15 3.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.715 0.293 . . . . 0.0 111.535 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.75 -30.75 61.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.725 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.431 ' HG2' ' CZ2' ' B' ' 34' ' ' TRP . 0.5 OUTLIER -164.88 -80.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.404 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t 64.1 -73.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.281 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -55.79 -30.76 61.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.044 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.446 ' OE1' HD21 ' B' ' 114' ' ' LEU . 1.2 tm-20 -72.06 -59.89 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.768 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 93' ' ' PHE . 22.5 t -59.46 -39.53 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -54.32 -47.16 72.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -60.74 -31.87 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.537 HG13 HD13 ' B' ' 107' ' ' LEU . 25.2 t -68.39 -43.32 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.855 HD12 HG22 ' A' ' 89' ' ' ILE . 25.6 mm -58.7 -44.27 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.69 -45.16 72.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.763 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.78 -33.23 70.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.7 ' SD ' HD13 ' B' ' 44' ' ' LEU . 25.7 ttm -71.41 -31.32 67.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.802 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.88 -28.9 67.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -57.04 -33.67 67.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.556 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.3 mp -70.09 -21.63 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 82' ' ' LEU . 2.9 mm? -117.98 41.04 2.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.696 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -104.16 -175.61 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.446 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.7 t -108.98 140.1 21.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.644 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.463 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 63.0 Cg_endo -93.17 -9.8 1.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.887 2.391 . . . . 0.0 114.652 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.538 HG21 ' HG3' ' A' ' 62' ' ' PRO . 3.1 pt -129.64 -32.97 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.456 ' N ' HG13 ' A' ' 26' ' ' ILE . 9.8 m -106.01 -14.78 15.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.573 0.225 . . . . 0.0 111.318 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 2.7 mm? 60.67 26.37 16.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.685 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.2 mt-10 -111.65 124.53 52.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.705 HD21 HD21 ' A' ' 87' ' ' LEU . 14.7 tp -37.11 102.3 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.499 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.773 HG22 ' HB3' ' A' ' 44' ' ' CYS . 36.4 pt -52.28 136.17 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.505 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -36.8 5.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.627 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -114.56 81.66 7.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.567 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HG2' ' CA ' ' A' ' 80' ' ' SER . 73.7 Cg_exo -49.07 140.82 23.94 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.648 2.232 . . . . 0.0 112.502 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG11 ' SD ' ' A' ' 48' ' ' MET . 11.0 p -149.42 126.71 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.942 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.7 p -93.96 116.83 29.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.597 HG21 ' CE1' ' A' ' 43' ' ' PHE . 3.7 p -79.69 162.7 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.496 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -47.99 -27.54 2.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.901 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.1 t -91.73 15.54 12.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.33 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 63.65 41.54 7.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.851 0.357 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 26.1 m170 -109.27 149.15 29.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 41.8 mm -98.63 150.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.462 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.597 ' CE1' HG21 ' A' ' 37' ' ' THR . 92.6 m-85 -157.62 172.32 18.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.53 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.773 ' HB3' HG22 ' A' ' 31' ' ' ILE . 19.8 p -97.93 31.13 2.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 tptt 70.17 -63.29 0.4 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.48 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -47.96 -29.23 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.431 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HA ' HD11 ' A' ' 26' ' ' ILE . 38.1 m -60.59 -38.56 85.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.66 ' SD ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -59.11 -38.77 80.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 46' ' ' PHE . 4.5 mp -68.56 -47.8 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.821 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -69.38 -37.87 77.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.594 HD23 ' HB2' ' A' ' 59' ' ' SER . 7.7 tp -71.32 -30.83 66.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 48' ' ' MET . 13.7 mt -82.31 -34.26 28.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -98.56 -0.55 43.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.421 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -59.32 -75.71 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.71 28.92 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mttt 60.28 158.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.54 -156.92 52.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.553 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.79 152.7 12.82 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.606 2.204 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.594 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.09 138.05 34.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.446 ' O ' HD11 ' A' ' 51' ' ' LEU . 14.3 mt-30 -96.83 114.72 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.35 116.74 12.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.538 ' HG3' HG21 ' A' ' 26' ' ' ILE . 82.5 Cg_endo -86.51 39.33 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.714 2.276 . . . . 0.0 112.602 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -133.95 -47.09 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.948 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.0 p -135.0 27.67 3.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tptt 55.7 23.25 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.25 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -60.07 -167.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -140.49 110.58 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.562 ' CG2' HD21 ' A' ' 73' ' ' LEU . 3.9 mt -101.86 141.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.51 49.57 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.717 ' HA ' HD23 ' A' ' 73' ' ' LEU . 3.7 tttt 55.86 -173.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.81 -62.6 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.309 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -21.41 35.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.299 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 70' ' ' LYS . 3.3 mm? -70.76 106.76 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -130.06 123.06 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.28 118.08 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -91.81 157.68 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.6 m -112.96 -21.4 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.262 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.34 -35.39 69.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.07 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.701 ' HA ' HD12 ' A' ' 82' ' ' LEU . 2.9 m-85 -102.77 22.07 14.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.199 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.402 ' CA ' ' HG2' ' A' ' 34' ' ' PRO . 10.5 t -91.5 -58.32 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.661 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.459 ' HB2' HD11 ' B' ' 47' ' ' LEU . 68.2 mt-30 -66.6 -27.77 67.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 79' ' ' PHE . 89.1 mt -59.2 -31.98 69.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.466 HG11 ' O ' ' A' ' 31' ' ' ILE . 20.6 t -75.28 -56.0 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.58 -39.31 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.56 ' OE1' HD13 ' B' ' 47' ' ' LEU . 13.2 mt-10 -60.39 -42.27 95.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.06 -38.0 78.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.705 HD21 HD21 ' A' ' 30' ' ' LEU . 4.1 mm? -59.48 -42.88 93.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -66.32 -32.0 73.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.855 HG22 HD12 ' A' ' 15' ' ' ILE . 15.6 mt -74.81 -31.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.743 HD11 HD12 ' A' ' 86' ' ' LEU . 5.4 mt -79.37 -47.56 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.1 m -59.59 -46.01 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.555 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -59.57 -43.81 93.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.518 ' CE2' HG21 ' A' ' 97' ' ' THR . 13.7 t80 -56.43 -30.69 63.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.28 -30.93 54.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 tp -62.56 -33.24 74.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.55 ' HB3' HD11 ' A' ' 3' ' ' LEU . 1.1 m-20 -96.95 -71.69 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.646 ' HB ' HD13 ' A' ' 99' ' ' LEU . 12.6 p -59.57 -57.39 13.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.82 27.53 23.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.646 HD13 ' HB ' ' A' ' 97' ' ' THR . 9.1 mp -92.09 164.59 13.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -78.55 152.48 31.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.49 ' CG ' HG21 ' A' ' 90' ' ' ILE . 47.6 t80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.62 ' HB1' HD23 ' A' ' 3' ' ' LEU . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.754 ' CZ3' HD22 ' A' ' 3' ' ' LEU . 12.1 m95 60.11 30.72 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.14 -62.11 1.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.555 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.11 -30.64 69.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.5 t -62.46 -31.55 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -44.99 52.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.53 92.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.636 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -66.04 -36.09 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' B' ' 111' ' ' LEU . 14.6 tp -59.76 -46.58 88.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.79 -34.87 76.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -57.87 -39.21 77.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.7 HD13 ' SD ' ' A' ' 18' ' ' MET . 7.7 tt -77.47 -29.96 52.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.86 -31.02 68.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -30.72 64.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.614 ' CB ' HD21 ' A' ' 82' ' ' LEU . 2.8 mp -100.68 18.01 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.215 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.619 HD12 HG12 ' B' ' 105' ' ' ILE . 3.8 mm? -122.76 -41.51 2.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -55.76 130.18 42.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 0.646 ' CA ' HD23 ' B' ' 57' ' ' LEU . 48.0 t -60.15 156.42 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 1.3 m -78.77 -34.06 45.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -60.33 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.787 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 35.9 m -57.39 -22.48 43.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 5.3 t 44.12 62.25 2.05 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.42 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -168.52 -178.49 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.81 75.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.666 ' O ' HG21 ' B' ' 105' ' ' ILE . 2.5 pp -51.38 170.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.488 ' HA ' HD13 ' B' ' 105' ' ' ILE . 1.5 mtp85 -149.86 124.0 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 68.5 tt0 56.36 53.42 7.55 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.607 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.541 ' HG3' HD13 ' B' ' 57' ' ' LEU . 52.1 Cg_endo -69.52 -174.23 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.59 2.193 . . . . 0.0 112.577 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.811 HG13 ' O ' ' B' ' 96' ' ' LYS . 22.3 t -131.34 145.78 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.0 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.3 m -73.67 140.19 45.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.791 HD22 HG23 ' B' ' 75' ' ' VAL . 1.1 tm? -63.04 -63.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.81 -51.59 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.529 ' O ' HG21 ' B' ' 88' ' ' THR . . . -179.49 43.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.523 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 0.5 OUTLIER -121.34 -80.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' B' ' 66' ' ' CYS . 35.0 tt0 177.34 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.436 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 31.3 m80 -55.42 140.32 40.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.168 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.536 HG21 HD13 ' B' ' 101' ' ' LEU . 2.1 mp -131.59 128.99 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.713 ' CE1' HD23 ' B' ' 63' ' ' LEU . 0.7 OUTLIER -129.16 167.24 17.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.867 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 16.0 m -62.36 -169.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.689 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.5 ' HA ' HG23 ' B' ' 61' ' ' VAL . 83.6 p -96.31 27.88 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -156.19 23.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 12.5 m -132.67 -49.86 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.801 HG22 HD11 ' B' ' 79' ' ' ILE . 11.6 p -57.95 -31.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.071 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -64.52 80.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -152.31 -47.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 69.2 m -128.16 38.41 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.785 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.801 HD11 HG22 ' B' ' 75' ' ' VAL . 12.8 mm -73.29 -31.86 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.39 -27.77 68.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.49 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.456 HG23 ' N ' ' B' ' 82' ' ' GLY . 11.1 t -105.53 -47.62 3.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . 0.649 ' HA2' ' HB2' ' B' ' 90' ' ' ALA . . . 152.72 -118.3 0.87 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.441 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 45.0 t -118.05 134.31 23.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 120.622 0.248 . . . . 0.0 110.77 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -77.87 -16.67 14.33 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.517 2.145 . . . . 0.0 112.692 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 20.9 t -96.37 -66.78 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.798 0.332 . . . . 0.0 111.336 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 27.0 m -70.8 -14.49 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.319 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 61.94 26.51 16.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.75 0.309 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.529 HG21 ' O ' ' B' ' 65' ' ' GLY . 64.7 m -93.67 128.81 40.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.07 143.1 63.76 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.38 2.054 . . . . 0.0 112.295 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.649 ' HB2' ' HA2' ' B' ' 82' ' ' GLY . . . -68.84 114.52 7.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -94.08 16.57 14.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.327 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.547 HD11 ' O ' ' B' ' 63' ' ' LEU . 14.4 pt -118.19 -41.24 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 61.12 15.77 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . 0.459 ' O ' HD12 ' B' ' 92' ' ' ILE . 1.5 t0 -160.84 -176.51 5.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.819 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 29.2 mt -109.2 90.9 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.811 ' O ' HG13 ' B' ' 61' ' ' VAL . 11.3 mttp -84.49 -172.37 4.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.486 HD13 ' O ' ' B' ' 96' ' ' LYS . 23.4 mm -131.96 135.39 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.18 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -81.32 81.35 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.757 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -56.98 -32.12 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -81.67 -55.8 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.942 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.536 HD13 HG21 ' B' ' 69' ' ' ILE . 0.3 OUTLIER -60.68 -41.21 94.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.486 ' HA ' HD12 ' B' ' 105' ' ' ILE . 30.0 t0 -59.12 -48.57 81.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.85 -30.45 63.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.545 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.578 ' CE ' HD11 ' B' ' 44' ' ' LEU . 24.9 ttm -71.02 -32.38 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.654 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.666 HG21 ' O ' ' B' ' 57' ' ' LEU . 59.1 mt -59.1 -51.47 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.562 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.73 -31.44 71.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.63 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -62.56 -51.1 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.781 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.5 t -58.52 -31.84 68.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -41.3 93.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.707 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.519 ' HE3' HG22 ' A' ' 14' ' ' VAL . 15.7 mtmt -59.87 -51.33 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.785 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' B' ' 41' ' ' LEU . 0.7 OUTLIER -62.99 -35.86 81.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -38.13 78.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -87.29 -31.24 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.496 ' CD1' HG21 ' A' ' 14' ' ' VAL . 40.3 mt -65.08 -31.54 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.561 HD23 ' HB3' ' B' ' 34' ' ' TRP . 1.9 mt -92.33 -31.22 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -59.86 -42.09 92.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.599 HD11 ' OD2' ' A' ' 96' ' ' ASP . 3.2 tp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.86 0.362 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m 62.17 21.32 12.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.27 23.32 5.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.419 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 3' ' ' LEU . 12.0 mt -58.28 -53.17 61.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.017 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.6 ttt180 -175.36 49.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.606 ' CG1' HD22 ' A' ' 99' ' ' LEU . 21.5 t -85.13 -30.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.73 -38.72 73.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.458 ' CB ' HD22 ' B' ' 114' ' ' LEU . 7.0 mm-40 -68.71 -52.58 29.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 7' ' ' ARG . 38.9 t -59.13 -47.25 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -53.16 -34.95 59.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -69.5 -30.96 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.49 HG13 ' HE3' ' B' ' 110' ' ' LYS . 34.6 t -73.93 -37.12 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.9 mm -65.12 -32.47 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.98 -45.66 60.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.786 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.78 -44.46 90.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 6.0 ttm -57.72 -41.07 81.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -59.24 -40.09 84.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -59.05 -31.92 69.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 18' ' ' MET . 27.9 mt -70.59 -31.34 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.75 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.737 HD12 HG22 ' A' ' 83' ' ' VAL . 3.8 mm? -105.14 29.58 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.762 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.86 -169.49 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.133 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 10.7 t -114.93 137.47 22.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.944 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -93.86 13.12 1.64 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.976 2.451 . . . . 0.0 114.019 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.574 HG21 ' HE2' ' A' ' 43' ' ' PHE . 2.3 pp -138.0 -40.2 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.548 ' HB3' HD12 ' A' ' 26' ' ' ILE . 28.6 p -125.07 2.34 7.95 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.5 mm? 57.09 29.8 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.343 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.3 mm-40 -103.96 119.61 39.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.608 0.242 . . . . 0.0 110.862 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' CD2' HD21 ' A' ' 87' ' ' LEU . 16.0 tp -38.17 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.385 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.815 HG22 ' SG ' ' A' ' 44' ' ' CYS . 24.1 pt -49.78 133.54 8.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.633 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.43 -33.42 6.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -115.76 80.73 8.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.73 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HG2' ' CA ' ' A' ' 80' ' ' SER . 63.7 Cg_exo -51.34 131.65 36.93 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.597 2.198 . . . . 0.0 112.542 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.2 p -145.56 120.67 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.861 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.8 p -75.55 128.91 36.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.77 HG22 HD23 ' A' ' 73' ' ' LEU . 4.0 p -95.79 162.94 13.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.7 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HD3' ' CZ3' ' B' ' 91' ' ' TRP . 0.5 OUTLIER -47.82 -28.36 2.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.537 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.8 m -96.26 26.46 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.122 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 54.27 51.22 14.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.29 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.929 ' ND1' HD22 ' A' ' 63' ' ' LEU . 89.5 m-70 -126.02 151.42 47.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.427 HG13 ' CD2' ' A' ' 79' ' ' PHE . 32.8 mm -97.78 138.37 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' HE2' HG21 ' A' ' 26' ' ' ILE . 15.5 m-85 -136.38 177.44 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.815 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.7 m -99.56 30.49 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt 64.02 -75.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.464 ' HA ' HD13 ' A' ' 49' ' ' LEU . 1.1 t80 -52.47 -26.31 12.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.204 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.477 ' SG ' HD11 ' A' ' 26' ' ' ILE . 74.2 m -57.51 -31.42 66.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.561 ' CE ' HD21 ' A' ' 73' ' ' LEU . 9.2 mmt -68.85 -37.3 79.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 46' ' ' PHE . 4.1 mp -59.5 -56.18 25.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -38.64 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.796 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 59' ' ' SER . 20.5 tp -69.99 -32.59 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.703 HD23 ' N ' ' A' ' 59' ' ' SER . 10.3 mt -77.72 -30.93 51.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.38 -20.08 20.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -54.39 -30.6 52.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.104 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -136.77 23.98 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? 60.66 154.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.989 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.09 -156.25 11.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.584 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.12 158.77 3.11 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.593 2.195 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.703 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -91.18 -174.66 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -133.73 113.39 12.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.504 ' HA ' HD11 ' A' ' 68' ' ' ILE . 46.7 t -57.1 109.49 1.77 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.54 -15.4 22.0 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.508 2.139 . . . . 0.0 112.68 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.929 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.7 mp -79.47 -28.37 41.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 111.228 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 m -138.95 21.45 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.274 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.02 28.06 1.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -82.95 -169.15 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -124.62 102.08 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.504 HD11 ' HA ' ' A' ' 61' ' ' CYS . 24.1 mt -82.48 158.59 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.494 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -134.22 -174.62 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 52' ' ' LEU . 15.6 mttm -98.17 33.66 2.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.9 mtm-85 -168.34 34.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.74 -43.2 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.77 HD23 HG22 ' A' ' 37' ' ' THR . 1.9 mp -60.07 169.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -141.63 91.19 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.29 102.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.0 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 m -130.2 -175.77 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.579 HG23 ' OG ' ' A' ' 80' ' ' SER . 82.1 m -114.34 85.68 2.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -53.16 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.717 ' O ' HG23 ' A' ' 83' ' ' VAL . 42.2 m-85 -108.39 33.3 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.741 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.579 ' OG ' HG23 ' A' ' 77' ' ' THR . 21.8 p -85.56 -41.56 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.717 ' HB2' HD22 ' B' ' 47' ' ' LEU . 7.3 mm-40 -83.53 -31.2 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.721 HD23 HD12 ' B' ' 47' ' ' LEU . 44.6 mt -63.15 -30.78 71.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.737 HG22 HD12 ' A' ' 22' ' ' LEU . 25.6 t -82.93 -34.7 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -76.68 -49.72 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -41.34 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.729 ' HA ' HD12 ' A' ' 89' ' ' ILE . 19.3 tp -57.59 -47.68 81.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.873 ' HA ' HD12 ' A' ' 90' ' ' ILE . 49.5 mt -57.05 -31.04 64.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -73.89 -37.19 64.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.759 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 86' ' ' LEU . 18.2 mt -66.92 -32.7 59.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 87' ' ' LEU . 11.9 mt -68.29 -42.46 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.1 m -64.8 -36.35 84.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' B' ' 36' ' ' HIS . . . -59.74 -40.72 89.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.442 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -59.13 -56.17 25.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -62.32 -30.9 71.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.12 -41.93 93.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.599 ' OD2' HD11 ' A' ' 3' ' ' LEU . 37.4 t0 -98.55 -65.74 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.648 ' HB ' HD13 ' A' ' 99' ' ' LEU . 14.6 p -58.64 -56.59 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.99 26.96 22.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.548 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.648 HD13 ' HB ' ' A' ' 97' ' ' THR . 8.3 mp -94.11 165.97 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.58 131.06 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.582 ' CD2' HG21 ' A' ' 90' ' ' ILE . 38.3 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.811 0.339 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' TRP . . . . . 0.586 ' CZ2' HD23 ' A' ' 3' ' ' LEU . 25.7 m95 60.14 31.5 20.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.86 -60.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.01 -30.72 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -35.24 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -44.3 54.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.0 75.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.572 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -59.84 -31.49 69.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' B' ' 111' ' ' LEU . 48.6 tp -60.75 -46.87 88.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -59.68 -36.08 75.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -61.81 -40.93 96.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.506 HD23 HD12 ' B' ' 48' ' ' LEU . 8.0 tt -71.09 -31.22 67.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -58.88 -39.87 82.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -26.29 60.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.721 HD12 HD23 ' A' ' 82' ' ' LEU . 6.4 mt -79.65 -30.01 41.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.683 HD22 HG13 ' B' ' 105' ' ' ILE . 10.5 mt -93.32 -25.24 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -52.72 122.14 8.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' CYS . . . . . 0.535 ' HB2' HD23 ' B' ' 57' ' ' LEU . 42.5 t -55.97 149.85 14.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -29.9 59.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -97.88 -58.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.408 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.1 m -63.91 -16.76 62.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.308 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.1 t 44.63 45.31 7.91 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.921 0.391 . . . . 0.0 111.382 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -157.46 -172.39 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.819 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 34.0 mm -68.2 128.86 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.782 ' O ' HG21 ' B' ' 105' ' ' ILE . 0.4 OUTLIER -112.37 151.69 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.459 ' HA ' HD13 ' B' ' 105' ' ' ILE . 6.8 ptt-85 -127.74 119.46 25.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 11.3 tt0 58.84 54.31 5.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.706 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 41.4 Cg_endo -67.25 177.15 4.0 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.605 2.204 . . . . 0.0 112.362 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.781 HG13 ' O ' ' B' ' 96' ' ' LYS . 38.4 t -124.64 146.86 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.474 ' O ' HD13 ' B' ' 92' ' ' ILE . 29.3 p -77.32 134.67 38.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.697 HD23 ' CE1' ' B' ' 70' ' ' PHE . 0.5 OUTLIER -58.75 -58.72 7.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.07 -66.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.781 ' O ' HG21 ' B' ' 88' ' ' THR . . . -157.6 40.93 0.53 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.585 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.1 p -123.39 -145.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -131.05 42.43 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 111.077 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.436 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.4 m170 -135.5 137.35 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.608 HG21 ' CD1' ' B' ' 101' ' ' LEU . 3.2 mp -126.01 141.2 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.697 ' CE1' HD23 ' B' ' 63' ' ' LEU . 0.5 OUTLIER -139.25 173.0 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 15.8 m -62.26 -176.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.711 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.505 ' HA ' HG23 ' B' ' 61' ' ' VAL . 53.9 p -102.16 26.37 7.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -148.68 17.58 1.01 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.458 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 7.0 p -133.35 -44.94 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 111.053 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.833 HG22 HG12 ' B' ' 79' ' ' ILE . 12.0 p -62.96 -30.9 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 50.0 m -53.03 -30.71 37.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.43 105.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.821 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 6.5 m 59.32 25.71 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.833 HG12 HG22 ' B' ' 75' ' ' VAL . 0.3 OUTLIER -54.05 -41.52 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.448 -179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.62 69.63 1.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.533 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 58.2 m -163.76 -44.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.833 0.349 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.42 140.64 5.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.363 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 51.7 t -56.76 133.14 78.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.584 0.231 . . . . 0.0 110.978 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.6 -19.37 8.8 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.593 2.195 . . . . 0.0 112.703 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.2 t -91.53 -26.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.323 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 61.3 m -103.22 -22.97 13.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 62.36 38.73 12.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.914 0.388 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.781 HG21 ' O ' ' B' ' 65' ' ' GLY . 0.2 OUTLIER -114.69 142.66 28.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' PRO . . . . . 0.65 ' HD2' HG22 ' B' ' 88' ' ' THR . 57.9 Cg_endo -71.69 144.05 43.31 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.442 2.095 . . . . 0.0 112.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.4 113.68 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' TRP . . . . . 0.43 ' CZ3' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -95.21 18.45 12.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.237 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.474 HD13 ' O ' ' B' ' 62' ' ' CYS . 1.8 pt -127.0 92.47 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.29 -29.55 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.08 -177.15 3.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.431 ' HG ' HG21 ' B' ' 61' ' ' VAL . 6.5 tp -100.99 80.91 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.781 ' O ' HG13 ' B' ' 61' ' ' VAL . 8.8 mttt -63.65 176.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.487 HD13 ' O ' ' B' ' 96' ' ' LYS . 24.1 mm -131.72 134.32 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.112 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.14 90.68 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -58.96 -39.28 81.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . 0.519 HE21 HG23 ' A' ' 21' ' ' ILE . 18.3 mm100 -69.18 -56.43 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.608 ' CD1' HG21 ' B' ' 69' ' ' ILE . 13.4 mt -60.23 -36.78 78.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.629 ' HA ' HD12 ' B' ' 105' ' ' ILE . 31.3 t0 -56.83 -60.48 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . 0.624 ' O ' HD23 ' B' ' 107' ' ' LEU . 3.1 m -60.63 -31.29 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.74 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . 0.62 ' HG3' HD21 ' B' ' 48' ' ' LEU . 30.2 tpp -60.31 -38.15 82.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.782 HG21 ' O ' ' B' ' 57' ' ' LEU . 5.6 mt -66.22 -44.51 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -30.69 68.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' LEU . . . . . 0.873 HD13 ' HE2' ' B' ' 110' ' ' LYS . 3.9 mm? -66.96 -44.18 81.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.5 t -59.21 -36.02 74.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.796 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 36.5 m -66.98 -32.05 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.781 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' LYS . . . . . 0.873 ' HE2' HD13 ' B' ' 107' ' ' LEU . 23.4 mtmt -60.7 -48.94 79.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.732 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' B' ' 114' ' ' LEU . 1.4 mp -59.86 -35.6 75.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -59.68 -39.09 83.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -74.95 -40.78 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' B' ' 111' ' ' LEU . 4.5 mt -69.47 -31.25 69.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.535 HD12 ' O ' ' B' ' 111' ' ' LEU . 7.4 mt -75.92 -55.13 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -73.22 -31.33 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.22 35.0 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.445 HD22 ' CH2' ' B' ' 34' ' ' TRP . 0.9 OUTLIER 58.37 30.77 20.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.83 ' HB2' HD23 ' A' ' 6' ' ' LEU . 3.5 m 62.2 17.6 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.219 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.47 21.7 5.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.428 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 4' ' ' SER . 2.6 pp -88.33 107.49 18.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.7 39.75 31.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.713 HG12 HD22 ' A' ' 99' ' ' LEU . 21.4 t -99.87 -30.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.14 -31.61 64.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 14' ' ' VAL . 7.1 mt-10 -66.66 -48.69 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.522 HG22 HD13 ' B' ' 114' ' ' LEU . 23.9 t -58.22 -56.01 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.226 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -49.28 -32.22 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -31.4 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.668 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.5 HG13 HD23 ' B' ' 107' ' ' LEU . 36.9 t -79.3 -30.53 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.978 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.597 HG22 ' CE1' ' A' ' 101' ' ' TYR . 33.4 mm -71.57 -35.82 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -70.9 -51.59 25.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.9 ' HB3' HD21 ' B' ' 107' ' ' LEU . . . -58.44 -29.91 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.981 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.517 ' HA ' HD13 ' B' ' 107' ' ' LEU . 10.1 tpp -68.26 -43.87 76.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.476 HE21 HD13 ' A' ' 30' ' ' LEU . 2.7 tt0 -59.67 -29.53 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -58.44 -42.89 88.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.809 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.866 HG21 ' CG ' ' B' ' 104' ' ' MET . 4.7 mp -67.33 -29.45 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.73 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.628 HD12 ' CG2' ' A' ' 83' ' ' VAL . 3.6 mm? -105.65 35.14 2.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -99.61 -169.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.467 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 9.9 t -111.61 138.71 21.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.931 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -93.69 11.6 1.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.96 2.44 . . . . 0.0 114.042 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.778 HD11 ' SG ' ' A' ' 47' ' ' CYS . 2.1 pp -138.97 -52.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.7 ' N ' HD12 ' A' ' 26' ' ' ILE . 25.5 p -106.0 -3.98 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 60.6 31.95 20.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.581 0.229 . . . . 0.0 111.358 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.5 mm-40 -111.62 124.75 52.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.623 0.249 . . . . 0.0 110.751 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.476 HD13 HE21 ' A' ' 19' ' ' GLN . 11.5 tp -38.11 101.78 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.479 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.827 HG22 ' SG ' ' A' ' 44' ' ' CYS . 28.4 pt -53.69 138.46 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.618 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -108.76 -44.95 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -107.58 77.55 0.61 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.39 120.24 7.97 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.62 2.213 . . . . 0.0 112.49 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.508 HG23 ' C ' ' A' ' 74' ' ' GLN . 10.6 p -129.24 132.29 67.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 p -81.15 123.16 28.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.417 HG21 ' CD1' ' A' ' 43' ' ' PHE . 77.3 p -91.86 162.89 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' CE ' ' CH2' ' B' ' 91' ' ' TRP . 4.8 tptm -45.96 -28.29 1.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.728 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.6 t -94.02 26.8 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.316 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 52.83 38.67 27.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.342 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.918 ' ND1' HD22 ' A' ' 63' ' ' LEU . 36.3 m-70 -115.47 158.02 23.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.663 HD11 HH22 ' A' ' 78' ' ' ARG . 42.5 mm -100.49 155.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.406 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 33.0 m-85 -152.33 -177.53 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.608 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.827 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.2 m -102.45 22.95 12.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.915 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? 69.27 -65.27 0.3 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -56.35 -34.41 66.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.778 ' SG ' HD11 ' A' ' 26' ' ' ILE . 25.6 m -58.23 -33.76 69.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.824 ' HG3' HD13 ' A' ' 73' ' ' LEU . 3.4 mmt -70.9 -34.16 71.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.05 -44.62 91.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.786 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -40.15 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.747 HD23 ' OG ' ' A' ' 59' ' ' SER . 6.6 tp -64.45 -30.56 71.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.529 HD13 ' HD3' ' A' ' 70' ' ' LYS . 7.8 mt -94.07 -29.04 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -65.53 -31.07 71.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.12 132.31 53.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.1 70.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.53 18.25 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.93 -154.33 49.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.546 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.693 ' HB3' HG22 ' A' ' 69' ' ' THR . 82.0 Cg_exo -45.42 141.04 7.87 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.748 2.299 . . . . 0.0 112.609 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.747 ' OG ' HD23 ' A' ' 51' ' ' LEU . 5.4 t -57.6 154.14 11.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -118.25 107.37 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.502 ' CB ' HD11 ' A' ' 68' ' ' ILE . 25.2 t -51.42 107.0 0.72 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.204 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.91 -9.09 25.02 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.37 2.047 . . . . 0.0 112.444 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.918 HD22 ' ND1' ' A' ' 41' ' ' HIS . 3.6 mp -77.95 -36.52 49.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.046 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.8 p -115.81 -52.76 2.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.849 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.84 -35.91 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.302 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.433 ' HA ' ' N ' ' A' ' 61' ' ' CYS . 18.5 p30 -178.27 -155.83 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.834 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 16.4 t70 82.8 68.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.947 0.403 . . . . 0.0 111.686 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.502 HD11 ' CB ' ' A' ' 61' ' ' CYS . 20.5 mt -157.05 142.94 9.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.816 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.693 HG22 ' HB3' ' A' ' 58' ' ' PRO . 31.0 p -144.95 165.69 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.529 ' HD3' HD13 ' A' ' 52' ' ' LEU . 1.5 mmtp -60.18 -65.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.767 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -73.85 64.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 m -147.4 -66.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.824 HD13 ' HG3' ' A' ' 48' ' ' MET . 0.4 OUTLIER -58.3 163.68 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.985 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.508 ' C ' HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -169.09 130.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.87 100.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.1 m -95.57 -25.21 16.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.465 ' O ' HG22 ' A' ' 77' ' ' THR . 95.2 m 62.59 67.09 0.73 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.663 HH22 HD11 ' A' ' 42' ' ' ILE . 11.4 ttp-105 -112.17 -36.78 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.76 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.756 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 m-85 -104.79 30.25 5.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.763 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.3 p -84.31 -63.31 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -58.4 -29.81 66.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.599 HD22 ' SD ' ' B' ' 104' ' ' MET . 19.9 mt -65.61 -31.42 72.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 79' ' ' PHE . 34.9 t -83.52 -46.37 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.48 -46.23 80.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' B' ' 47' ' ' LEU . 5.9 mm-40 -59.78 -49.94 75.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.485 HD13 ' HG2' ' A' ' 18' ' ' MET . 14.3 tp -51.03 -44.8 61.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.991 0.424 . . . . 0.0 111.005 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.645 ' HA ' HD12 ' A' ' 90' ' ' ILE . 13.9 mt -55.11 -38.4 68.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.23 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -26.2 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.096 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.786 HG12 ' HB1' ' B' ' 40' ' ' ALA . 43.8 mt -69.9 -42.32 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 87' ' ' LEU . 3.6 mt -65.88 -34.43 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.049 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.52 -41.31 98.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.691 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -65.44 -35.89 82.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -59.14 -54.48 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.88 -30.15 70.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -40.17 84.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -98.34 -72.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.698 ' HB ' HD13 ' A' ' 99' ' ' LEU . 11.5 p -60.24 -52.74 63.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.41 27.5 43.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.594 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.713 HD22 HG12 ' A' ' 8' ' ' VAL . 10.5 mp -89.03 161.49 16.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.49 149.64 48.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.597 ' CE1' HG22 ' A' ' 15' ' ' ILE . 24.7 t80 -107.42 -57.36 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -174.49 151.67 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.89 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 1.1 ttp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.89 0.376 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -143.93 157.97 56.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.15 -41.9 3.42 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.565 2.177 . . . . 0.0 112.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -127.82 31.31 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.61 93.66 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 68.31 -69.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.5 -53.64 4.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.6 168.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.464 ' HB3' HD23 ' B' ' 115' ' ' LEU . 22.6 m95 59.44 30.18 19.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.06 -51.96 10.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.691 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -62.26 -31.3 71.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.403 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 2.8 t -68.87 -36.32 77.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.68 ' HD2' HD13 ' B' ' 115' ' ' LEU . 0.6 OUTLIER -60.37 -45.01 95.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.87 73.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.786 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -68.02 -38.4 82.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' B' ' 111' ' ' LEU . 13.3 tp -59.97 -50.18 74.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.52 -37.63 76.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -61.86 -52.23 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.823 HD23 ' O ' ' B' ' 44' ' ' LEU . 5.3 tt -64.32 -32.92 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.39 -37.45 80.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.981 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -30.77 67.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.422 HD12 HD23 ' A' ' 82' ' ' LEU . 13.3 mt -79.55 -12.79 59.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.288 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -109.93 -26.01 9.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.713 0.292 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -51.38 119.23 3.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.117 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 0.682 ' HB2' HD23 ' B' ' 57' ' ' LEU . 54.1 t -58.49 156.51 10.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -82.69 -38.42 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.4 -56.27 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.407 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.0 m -72.31 -9.62 58.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.369 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.52 41.02 4.35 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.954 0.407 . . . . 0.0 111.427 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.92 176.88 10.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.572 ' H ' HD12 ' B' ' 56' ' ' ILE . 4.0 mp -57.73 134.95 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.804 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.811 HD13 ' HG3' ' B' ' 60' ' ' PRO . 0.3 OUTLIER -110.34 176.87 4.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.745 ' HA ' HD13 ' B' ' 105' ' ' ILE . 0.1 OUTLIER -142.31 118.79 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.549 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 33.7 tt0 53.27 52.58 10.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.51 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.811 ' HG3' HD13 ' B' ' 57' ' ' LEU . 61.1 Cg_endo -72.84 -173.78 1.32 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.632 2.221 . . . . 0.0 112.633 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 96' ' ' LYS . 7.3 p -126.69 144.5 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.804 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 44.5 t -61.0 -99.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.632 ' HG ' HG21 ' B' ' 75' ' ' VAL . 1.1 tm? 76.59 -52.64 0.59 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.813 0.34 . . . . 0.0 111.035 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.56 73.92 0.23 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.76 -25.0 14.31 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.653 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -87.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.394 0.14 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -155.69 23.21 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.654 0.264 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.43 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 8.5 m80 -111.5 158.12 19.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 111.001 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.723 HD13 HD11 ' B' ' 101' ' ' LEU . 7.4 mt -150.17 147.03 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' B' ' 51' ' ' SER . 0.1 OUTLIER -143.89 170.75 15.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.667 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.454 ' O ' HG12 ' B' ' 61' ' ' VAL . 5.4 m -67.96 176.53 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.721 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.9 m -94.32 22.67 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.964 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.77 19.17 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.199 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 10.0 m -127.57 -46.58 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.849 HG22 HD13 ' B' ' 79' ' ' ILE . 10.0 p -67.57 -30.12 47.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.021 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -24.89 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.263 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -94.77 25.25 4.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.054 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.02 32.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.76 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.849 HD13 HG22 ' B' ' 75' ' ' VAL . 17.6 mm -78.1 -26.52 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.236 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.07 42.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.681 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 80.9 m -107.98 -70.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.75 -113.84 0.64 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.6 t -91.02 134.15 30.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.571 0.224 . . . . 0.0 110.792 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.61 -12.9 18.35 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.474 2.116 . . . . 0.0 112.905 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.43 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 21.7 t -107.15 -67.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 111.345 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 87.4 m -65.68 -15.84 63.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 61.85 21.33 12.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.721 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.484 HG23 ' HD2' ' B' ' 89' ' ' PRO . 85.0 m -77.74 139.7 62.7 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.779 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . 0.484 ' HD2' HG23 ' B' ' 88' ' ' THR . 44.4 Cg_endo -68.24 143.81 60.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.435 2.09 . . . . 0.0 112.258 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.454 ' HB1' HD21 ' B' ' 63' ' ' LEU . . . -60.02 144.73 48.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.065 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . 0.45 ' CH2' ' CE ' ' A' ' 38' ' ' LYS . 16.5 t90 -108.73 -23.77 11.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 1.7 pt -111.04 115.0 48.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -69.19 -41.46 77.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.16 146.44 23.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.66 78.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.57 ' O ' HG23 ' B' ' 61' ' ' VAL . 71.9 mttt -71.74 172.12 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.48 HG22 ' N ' ' B' ' 98' ' ' ASN . 25.9 mm -129.7 158.74 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . 0.48 ' N ' HG22 ' B' ' 97' ' ' ILE . 2.9 m-80 -121.27 97.99 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -60.06 -31.26 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' A' ' 21' ' ' ILE . 1.3 mm-40 -62.69 -64.29 0.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.723 HD11 HD13 ' B' ' 69' ' ' ILE . 19.1 mt -57.79 -33.2 68.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.704 ' HA ' HD12 ' B' ' 105' ' ' ILE . 62.0 t0 -63.32 -47.99 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -31.36 72.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.763 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.866 ' CG ' HG21 ' A' ' 21' ' ' ILE . 2.5 mtp -62.94 -37.85 88.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.745 HG21 ' O ' ' B' ' 57' ' ' LEU . 6.5 mt -64.92 -49.52 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.057 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -43.33 83.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.9 HD21 ' HB3' ' A' ' 17' ' ' ALA . 2.6 mt -62.25 -44.64 96.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.32 -34.96 72.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -61.26 -39.1 89.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.635 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.743 ' CE ' HD23 ' B' ' 107' ' ' LEU . 1.5 mtpp -57.51 -59.15 5.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.72 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.555 ' CB ' HD13 ' B' ' 41' ' ' LEU . 5.3 mt -48.96 -35.83 16.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.073 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.405 ' HA ' HD12 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -58.4 -39.9 80.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -76.59 -35.37 58.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' B' ' 111' ' ' LEU . 55.4 mt -59.76 -38.52 82.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.68 HD13 ' HD2' ' B' ' 38' ' ' ARG . 1.0 OUTLIER -75.43 -38.53 59.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -68.78 -41.38 78.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.57 109.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -83.32 105.33 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -97.16 92.78 6.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.408 HD23 ' N ' ' B' ' 121' ' ' SER . 2.9 tt -160.52 130.82 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . 0.408 ' N ' HD23 ' B' ' 120' ' ' LEU . 80.2 p -87.27 -74.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.929 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.845 0.355 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -148.02 159.48 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.845 HD11 ' CZ2' ' B' ' 34' ' ' TRP . 0.2 OUTLIER -104.66 49.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.788 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 76.42 1.99 3.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.621 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.96 23.58 6.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.73 0.3 . . . . 0.0 111.454 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.718 HD21 HD12 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -52.25 -29.51 23.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.194 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.404 ' O ' ' CZ2' ' B' ' 34' ' ' TRP . 5.6 ttt180 -179.1 74.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.533 HG12 HD22 ' A' ' 99' ' ' LEU . 30.3 t -107.84 -46.04 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.84 -33.92 72.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 14' ' ' VAL . 58.8 mm-40 -68.27 -55.46 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.552 HG13 ' CD2' ' B' ' 111' ' ' LEU . 25.0 t -58.53 -39.85 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -44.28 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.061 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.54 -30.07 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.562 ' O ' HD12 ' B' ' 107' ' ' LEU . 25.1 t -67.79 -30.0 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.22 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.408 ' CG2' HG12 ' A' ' 90' ' ' ILE . 10.2 mm -79.35 -36.15 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -65.02 -52.36 56.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.989 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.892 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.04 -43.78 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.553 ' SD ' HD13 ' B' ' 44' ' ' LEU . 12.8 ttm -56.4 -48.13 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' N ' HD21 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -59.25 -36.26 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.868 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -62.47 -32.77 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.783 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 18' ' ' MET . 32.9 mt -68.64 -30.63 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.782 HD22 ' CD1' ' A' ' 79' ' ' PHE . 5.5 mt -111.45 30.39 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.666 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -87.18 -165.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 11.7 t -112.06 138.79 21.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.005 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -93.72 12.81 1.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 123.012 2.475 . . . . 0.0 114.08 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 27' ' ' CYS . 2.5 pp -141.3 -51.76 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.731 ' N ' HD12 ' A' ' 26' ' ' ILE . 23.5 p -106.56 -3.65 20.55 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 59.28 33.29 22.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.355 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.6 mm-40 -111.94 127.19 55.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.618 0.247 . . . . 0.0 110.795 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 30' ' ' LEU . 11.9 tp -38.66 99.51 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.962 0.411 . . . . 0.0 111.264 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.836 HG22 ' SG ' ' A' ' 44' ' ' CYS . 28.8 pt -49.15 132.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.845 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -103.07 -46.18 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.293 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -107.24 74.61 0.41 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.153 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HG3' ' CA ' ' A' ' 80' ' ' SER . 13.8 Cg_endo -56.95 126.67 22.98 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.804 2.336 . . . . 0.0 112.738 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 27.6 m -126.03 176.7 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.453 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 p -127.2 114.49 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.551 HG21 ' CE1' ' A' ' 43' ' ' PHE . 7.8 p -84.12 158.96 21.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HA ' ' CZ3' ' B' ' 91' ' ' TRP . 17.9 tttt -47.5 -26.41 1.39 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.643 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.5 t -91.23 23.83 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 111.361 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 54.97 34.97 23.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.229 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.862 ' ND1' HD22 ' A' ' 63' ' ' LEU . 26.5 m-70 -107.87 161.97 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 40.0 mm -109.07 147.99 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 111.629 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.551 ' CE1' HG21 ' A' ' 37' ' ' THR . 37.7 m-85 -147.03 -177.64 5.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.836 ' SG ' HG22 ' A' ' 31' ' ' ILE . 5.5 m -100.47 29.64 4.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.623 ' NZ ' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER 69.15 -69.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -26.94 68.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.388 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.727 ' SG ' HD11 ' A' ' 26' ' ' ILE . 68.1 m -52.07 -29.07 19.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.769 0.319 . . . . 0.0 111.127 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.788 ' HE1' HD13 ' A' ' 68' ' ' ILE . 43.0 mmm -77.56 -32.01 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -52.76 47.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -39.55 74.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.728 HD23 ' HB3' ' A' ' 59' ' ' SER . 6.7 tp -60.05 -30.5 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 48' ' ' MET . 4.1 mt -74.78 -30.97 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -90.44 -30.71 17.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -59.16 -31.57 69.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -123.56 135.97 54.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -59.55 111.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.46 -156.76 15.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -51.51 176.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.59 2.194 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.728 ' HB3' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -71.32 -39.6 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.52 104.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 t -52.56 108.93 1.21 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.48 -9.14 25.23 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.332 2.021 . . . . 0.0 112.45 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.862 HD22 ' ND1' ' A' ' 41' ' ' HIS . 3.3 mp -82.09 -31.24 30.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.124 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.3 m -117.47 -61.81 1.65 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.882 0.372 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.79 -30.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.49 138.92 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.89 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.34 39.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.788 HD13 ' HE1' ' A' ' 48' ' ' MET . 6.3 mt -151.39 153.35 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -162.03 67.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mttt 63.25 -79.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -87.16 55.28 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.404 ' HB2' HG23 ' A' ' 68' ' ' ILE . 4.3 m -111.27 -51.47 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.623 HD11 ' NZ ' ' A' ' 45' ' ' LYS . 1.1 pt? -75.59 -174.31 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -151.86 130.88 12.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HA ' HG12 ' A' ' 35' ' ' VAL . 9.2 tt0 -74.16 136.29 42.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -168.02 -175.47 2.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.3 m -127.76 92.79 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.421 ' HG2' HD11 ' B' ' 69' ' ' ILE . 4.9 ttm105 -127.47 -53.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.782 ' CD1' HD22 ' A' ' 22' ' ' LEU . 2.2 m-85 -98.34 28.53 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.4 ' CA ' ' HG3' ' A' ' 34' ' ' PRO . 28.9 t -90.69 -62.27 1.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.71 ' HB2' HD11 ' B' ' 47' ' ' LEU . 6.3 mt-30 -57.61 -28.82 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.641 HD22 ' SD ' ' B' ' 104' ' ' MET . 3.3 mt -67.77 -33.08 74.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 79' ' ' PHE . 38.1 t -77.47 -41.68 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.51 -47.7 66.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.789 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -39.55 79.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.757 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' A' ' 89' ' ' ILE . 13.3 tp -59.92 -45.28 93.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.734 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.831 ' HA ' HD12 ' A' ' 90' ' ' ILE . 7.2 tp -55.92 -31.97 63.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.78 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -73.42 -33.01 64.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 86' ' ' LEU . 29.5 mt -68.62 -34.84 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 87' ' ' LEU . 3.9 mt -71.69 -44.18 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.2 m -58.99 -34.46 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.804 ' HB1' ' ND1' ' B' ' 36' ' ' HIS . . . -68.04 -38.59 82.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.042 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.471 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 9.4 t80 -58.61 -49.22 78.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -64.57 -27.41 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -50.4 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.573 ' OD2' HD22 ' A' ' 3' ' ' LEU . 9.8 t70 -93.32 -66.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.841 HG22 HD21 ' A' ' 3' ' ' LEU . 10.6 p -60.19 -57.23 13.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.39 28.08 31.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.603 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.675 HD13 ' HB ' ' A' ' 97' ' ' THR . 10.1 mp -87.3 162.03 17.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -69.29 176.37 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.756 ' CD2' HG21 ' A' ' 90' ' ' ILE . 86.3 t80 -162.7 -62.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.79 -47.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.959 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 31.1 mtp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.818 0.342 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 60.19 80.09 0.28 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.11 107.6 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.551 2.167 . . . . 0.0 112.369 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -134.74 80.36 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.2 34.63 90.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -64.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.44 -119.28 0.96 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.557 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.9 146.53 45.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.845 ' CZ2' HD11 ' A' ' 3' ' ' LEU . 21.9 m95 60.23 31.34 20.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.73 -50.34 8.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.804 ' ND1' ' HB1' ' A' ' 92' ' ' ALA . 9.5 p80 -60.02 -29.68 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.995 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.604 ' OG ' HD21 ' B' ' 115' ' ' LEU . 29.1 t -71.87 -35.71 69.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.455 ' HG3' HD22 ' B' ' 115' ' ' LEU . 68.0 mtp180 -60.19 -42.14 94.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.09 64.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.625 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -59.86 -42.01 92.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.505 HD13 ' CB ' ' B' ' 111' ' ' LEU . 5.1 tp -59.57 -41.62 90.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.22 -31.49 70.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -64.08 -46.72 83.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.573 HD21 ' SD ' ' B' ' 104' ' ' MET . 8.3 tt -67.84 -32.91 73.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.74 -39.58 85.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.7 -30.84 67.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 81' ' ' GLN . 3.8 mm? -74.23 -31.28 62.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.656 HD23 HG12 ' B' ' 105' ' ' ILE . 3.9 mp -88.76 -22.55 23.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.54 117.54 2.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 0.614 ' HB2' HD23 ' B' ' 57' ' ' LEU . 50.5 t -56.86 155.41 7.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.7 -37.61 41.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -86.3 -56.79 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.4 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.1 m -67.27 -14.42 62.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.299 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.47 37.01 1.87 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.803 0.335 . . . . 0.0 111.299 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -159.05 -171.76 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.779 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -59.32 126.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.83 ' O ' HD13 ' B' ' 105' ' ' ILE . 0.4 OUTLIER -107.55 -178.72 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.1 125.22 9.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.1 tp10 54.79 52.39 8.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.485 ' HG3' HD13 ' B' ' 57' ' ' LEU . 71.7 Cg_endo -76.89 179.62 6.32 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.532 2.155 . . . . 0.0 112.584 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.617 HG22 ' O ' ' B' ' 96' ' ' LYS . 21.2 t -124.07 152.81 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.047 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.43 -77.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.619 HD22 HD11 ' B' ' 92' ' ' ILE . 0.2 OUTLIER 76.56 107.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.812 -179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.409 ' CA ' HG22 ' B' ' 88' ' ' THR . . . 75.71 -66.44 2.4 Favored Glycine 0 C--N 1.318 -0.466 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.633 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.13 56.31 0.84 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -122.04 -86.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.62 0.248 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -157.4 23.93 0.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 110.982 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.433 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 32.7 m170 -132.53 115.42 15.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.964 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.538 HG21 HD13 ' B' ' 101' ' ' LEU . 3.3 mp -119.95 145.83 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -136.56 176.41 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.8 p -92.43 156.18 17.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.6 t -58.64 -20.59 49.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.28 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -94.16 19.59 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.485 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 8.3 m -141.87 -53.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.819 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.926 HG22 ' CD1' ' B' ' 79' ' ' ILE . 13.1 p -59.3 -29.98 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 5.8 m -54.04 -23.93 15.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.285 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -94.01 25.15 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 5.6 t -163.69 30.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.926 ' CD1' HG22 ' B' ' 75' ' ' VAL . 12.5 mm -91.4 160.94 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . 0.467 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 98.51 -34.61 5.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.092 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -95.48 -63.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.623 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . 0.421 ' HA2' ' HB2' ' B' ' 90' ' ' ALA . . . 145.25 -114.34 0.76 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.354 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.8 t -121.16 134.31 24.39 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.618 0.247 . . . . 0.0 110.766 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.13 -11.75 13.35 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.611 2.207 . . . . 0.0 113.036 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.433 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 21.2 t -106.85 -67.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 111.378 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 93.8 m -64.93 -15.03 61.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 65.43 20.75 11.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.409 HG22 ' CA ' ' B' ' 64' ' ' GLY . 90.7 m -84.71 113.7 50.97 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.761 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.05 142.66 53.34 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.297 1.998 . . . . 0.0 112.245 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.421 ' HB2' ' HA2' ' B' ' 82' ' ' GLY . . . -57.86 89.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . 0.43 ' CZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -56.39 -24.07 42.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.331 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.619 HD11 HD22 ' B' ' 63' ' ' LEU . 1.3 pt -106.78 96.2 4.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -59.2 -33.65 71.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.69 155.86 17.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' B' ' 95' ' ' LEU . 12.1 mt -65.06 80.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.617 ' O ' HG22 ' B' ' 61' ' ' VAL . 19.5 mttm -77.3 169.54 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.446 HD13 ' O ' ' B' ' 96' ' ' LYS . 24.1 mm -131.59 153.92 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.277 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -111.77 87.85 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.663 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -37.72 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.19 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.525 ' O ' HG21 ' A' ' 21' ' ' ILE . 4.8 mm-40 -62.07 -44.15 97.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.824 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.538 HD13 HG21 ' B' ' 69' ' ' ILE . 10.4 mt -69.6 -44.87 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -65.06 -50.67 65.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.8 t -53.77 -33.05 54.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.669 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.737 ' HE3' HD21 ' A' ' 22' ' ' LEU . 23.3 ttm -67.25 -34.88 78.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.552 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.83 HD13 ' O ' ' B' ' 57' ' ' LEU . 36.0 mt -58.11 -45.09 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.597 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.28 -38.32 83.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.453 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.908 HD13 ' CE ' ' B' ' 110' ' ' LYS . 3.7 mm? -66.23 -50.3 64.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.461 ' SG ' HD11 ' B' ' 41' ' ' LEU . 52.8 t -57.97 -36.26 72.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.72 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -35.3 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.63 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.908 ' CE ' HD13 ' B' ' 107' ' ' LEU . 21.5 mtmt -60.52 -50.34 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.671 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.552 ' CD2' HG13 ' A' ' 11' ' ' VAL . 5.2 mt -58.28 -34.17 70.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.61 82.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -79.77 -31.81 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.766 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.51 HD12 ' C ' ' B' ' 110' ' ' LYS . 11.3 mt -71.09 -35.87 71.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' B' ' 34' ' ' TRP . 12.2 mt -71.45 -36.63 71.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -130.44 108.28 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.17 83.31 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.51 137.87 39.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -95.48 164.83 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 25.4 tp -131.14 -46.38 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m -81.69 -62.95 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 p30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.906 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 ttp . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.874 0.369 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.71 30.79 1.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.57 HD11 ' OD2' ' A' ' 96' ' ' ASP . 1.1 tp 59.07 30.88 20.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m 59.18 26.21 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 8' ' ' VAL . . . 62.51 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.43 HD22 ' HE1' ' B' ' 34' ' ' TRP . 0.1 OUTLIER 61.65 -78.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 5' ' ' ALA . 2.4 ttt85 -167.65 33.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 5' ' ' ALA . 21.6 t -59.12 -30.69 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.72 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.809 ' HB3' HD21 ' B' ' 114' ' ' LEU . 1.8 mp0 -59.33 -41.58 89.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.62 HG22 HD23 ' B' ' 114' ' ' LEU . 23.9 t -69.84 -31.09 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.054 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.59 -36.33 82.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -71.88 -31.26 66.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 10' ' ' GLU . 28.1 t -65.66 -55.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.11 -30.05 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.508 HD21 ' HB2' ' A' ' 102' ' ' ALA . 1.4 t-20 -69.11 -49.12 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -59.8 -42.49 93.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.723 ' HB3' HD21 ' A' ' 86' ' ' LEU . 6.3 ttm -56.8 -47.01 81.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -39.5 86.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -59.81 -36.5 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 18' ' ' MET . 47.3 mt -63.24 -27.77 43.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.8 HD21 ' SD ' ' B' ' 104' ' ' MET . 3.5 mt -114.62 44.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.586 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.41 -174.32 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 9.5 t -104.01 140.41 21.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.546 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.447 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 69.4 Cg_endo -91.99 -10.74 2.31 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.696 2.264 . . . . 0.0 114.773 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.57 HD11 ' CB ' ' A' ' 47' ' ' CYS . 3.1 pt -131.63 -33.71 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.479 ' N ' HG13 ' A' ' 26' ' ' ILE . 16.6 m -101.93 -15.87 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.607 0.241 . . . . 0.0 111.335 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 3.3 mm? 60.24 26.77 16.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.821 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.5 mt-10 -111.5 125.89 54.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 tp -41.2 100.21 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.582 HG22 ' HB3' ' A' ' 44' ' ' CYS . 34.3 pt -50.92 133.43 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.509 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -110.85 -29.98 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -114.31 83.19 8.1 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.748 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HG2' ' N ' ' A' ' 80' ' ' SER . 75.3 Cg_exo -50.13 125.58 15.19 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.591 2.194 . . . . 0.0 112.55 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.5 p -140.63 119.4 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 t -78.65 138.0 38.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.0 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.542 HG21 ' HE1' ' A' ' 48' ' ' MET . 9.8 p -107.05 161.04 15.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HA ' ' CZ3' ' B' ' 91' ' ' TRP . 8.3 tttp -48.94 -26.01 2.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.496 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.8 t -91.65 21.87 4.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 t70 56.4 42.19 27.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.911 ' ND1' HD22 ' A' ' 63' ' ' LEU . 50.2 m-70 -124.15 158.14 33.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.065 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 43' ' ' PHE . 51.5 mm -100.75 157.87 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.325 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' N ' HG22 ' A' ' 42' ' ' ILE . 45.1 m-85 -152.34 -177.21 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.54 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.582 ' HB3' HG22 ' A' ' 31' ' ' ILE . 24.6 p -128.13 45.56 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 111.345 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.62 157.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.656 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.418 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER 75.84 -49.22 0.61 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.102 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.57 ' CB ' HD11 ' A' ' 26' ' ' ILE . 22.8 m -45.59 -29.88 1.33 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.826 0.346 . . . . 0.0 111.189 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.546 ' HE2' HD11 ' A' ' 73' ' ' LEU . 3.1 mmm -78.57 -36.99 43.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.8 mp -66.26 -55.33 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -60.11 -47.09 87.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.36 -30.8 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 48' ' ' MET . 34.4 mt -86.12 -32.13 21.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -77.86 -37.2 48.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -59.88 -31.62 69.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -124.6 115.91 21.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -59.67 104.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.62 -163.15 19.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.592 ' HB3' HG22 ' A' ' 69' ' ' THR . 54.4 Cg_exo -52.05 142.58 43.88 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.434 ' OG ' HG22 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -60.11 -175.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -150.61 105.36 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.7 t -47.78 107.76 0.79 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.301 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.05 -5.17 16.73 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.37 2.047 . . . . 0.0 112.481 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.911 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.1 mp -82.31 -34.15 28.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.011 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 p -118.25 -55.4 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 171.69 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.3 p30 172.12 139.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.63 40.95 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.434 HG22 ' OG ' ' A' ' 59' ' ' SER . 11.3 mt -148.49 150.52 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 58' ' ' PRO . 0.7 OUTLIER -123.48 -179.06 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -80.84 134.16 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? 60.44 78.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.534 ' C ' HD22 ' A' ' 73' ' ' LEU . 2.0 m -174.89 77.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.546 HD11 ' HE2' ' A' ' 48' ' ' MET . 4.2 mm? -123.46 167.21 14.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -136.03 76.38 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.74 102.31 2.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.94 151.19 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -78.49 79.54 4.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.87 ' HG2' HD11 ' B' ' 69' ' ' ILE . 6.7 ttm180 -116.84 -58.67 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.755 ' HA ' HD12 ' A' ' 82' ' ' LEU . 4.3 m-85 -99.15 33.63 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -92.63 -59.09 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.508 ' HB2' HD22 ' B' ' 47' ' ' LEU . 45.7 mt-30 -63.2 -29.88 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.782 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 79' ' ' PHE . 17.4 mt -64.88 -42.22 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.68 HG22 ' HB3' ' A' ' 22' ' ' LEU . 29.6 t -69.8 -43.36 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.04 -48.03 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.79 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -34.38 73.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -59.38 -43.64 92.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.741 ' HA ' HD12 ' A' ' 90' ' ' ILE . 27.3 mt -59.61 -40.39 87.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -63.93 -37.77 88.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 86' ' ' LEU . 15.7 mt -70.01 -30.2 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 86' ' ' LEU . 7.2 mt -78.77 -44.91 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.6 m -59.28 -49.75 76.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.8 83.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.516 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 37.4 t80 -57.99 -51.21 70.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -72.13 -28.34 63.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.0 tp -58.09 -31.49 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.57 ' OD2' HD11 ' A' ' 3' ' ' LEU . 36.0 t0 -105.47 -60.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.691 ' HB ' HD13 ' A' ' 99' ' ' LEU . 21.5 p -59.9 -46.29 89.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.61 24.59 49.69 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.583 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.691 HD13 ' HB ' ' A' ' 97' ' ' THR . 9.2 mp -90.98 164.35 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.337 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.44 148.49 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.543 ' CD2' HG21 ' A' ' 90' ' ' ILE . 8.8 t80 -106.36 168.69 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.508 ' HB2' HD21 ' A' ' 16' ' ' ASN . . . -86.51 153.98 21.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.913 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.878 0.371 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -147.66 87.22 6.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.06 -37.41 8.49 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.613 2.208 . . . . 0.0 112.254 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 60.67 -176.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.9 32.03 2.15 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -150.74 36.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.84 123.04 1.02 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.62 146.97 46.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.806 ' HB3' HD23 ' B' ' 115' ' ' LEU . 12.3 m95 60.65 37.19 19.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.58 -55.53 3.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -60.16 -31.36 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.521 ' CB ' HD21 ' B' ' 115' ' ' LEU . 14.8 m -65.94 -40.19 91.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.469 ' HG2' HD13 ' B' ' 115' ' ' LEU . 20.8 mtp180 -60.58 -38.81 85.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.38 -55.18 14.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.24 73.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.526 HD12 ' HB3' ' B' ' 111' ' ' LEU . 8.7 tt -60.5 -48.73 80.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -32.45 71.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -60.64 -39.21 87.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.522 HD13 ' SD ' ' A' ' 18' ' ' MET . 7.1 tt -67.9 -34.28 76.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.07 -41.78 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.6 -22.19 43.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.609 HD12 HD23 ' A' ' 82' ' ' LEU . 12.7 mt -87.49 -20.81 26.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.209 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' B' ' 105' ' ' ILE . 5.8 mp -100.98 -22.7 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.343 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -46.99 124.78 6.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.23 144.4 35.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -28.73 69.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.11 -63.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 26.8 m -57.02 -22.64 40.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t 43.93 65.18 1.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.985 0.421 . . . . 0.0 111.414 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -169.49 -179.17 3.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.405 ' CG2' HG23 ' B' ' 105' ' ' ILE . 34.9 mm -66.77 75.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.841 ' O ' HG21 ' B' ' 105' ' ' ILE . 0.3 OUTLIER -57.2 -179.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.679 ' HA ' HD13 ' B' ' 105' ' ' ILE . 0.0 OUTLIER -152.52 127.09 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.763 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 32.8 tt0 55.19 53.69 9.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.685 ' HB3' HD22 ' B' ' 57' ' ' LEU . 58.0 Cg_endo -71.62 -176.02 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.497 2.131 . . . . 0.0 112.659 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.874 HG13 ' O ' ' B' ' 96' ' ' LYS . 4.9 t -120.23 149.42 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.066 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 10.8 m -73.78 -26.96 60.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.864 HD23 HG21 ' B' ' 75' ' ' VAL . 1.7 tm? 80.88 -51.75 0.31 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.088 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.71 -83.37 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.568 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.737 ' O ' HG21 ' B' ' 88' ' ' THR . . . -114.06 36.8 3.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.396 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 53.0 t -133.41 109.11 9.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.371 . . . . 0.0 110.685 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.1 -25.02 4.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.405 ' O ' ' CE1' ' B' ' 70' ' ' PHE . 12.8 m80 -76.52 118.79 19.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.87 HD11 ' HG2' ' A' ' 78' ' ' ARG . 3.2 mp -97.65 141.43 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -130.56 170.09 14.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.75 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 10.7 m -64.8 172.88 2.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.688 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.5 t -95.36 26.26 3.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -145.54 19.68 1.51 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 5.4 m -129.83 -45.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.153 0.501 . . . . 0.0 110.398 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.864 HG21 HD23 ' B' ' 63' ' ' LEU . 9.2 p -79.15 -29.37 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.96 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 24.4 p -51.55 -25.25 6.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.293 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.11 24.96 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -165.66 31.5 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.856 HD13 HG22 ' B' ' 75' ' ' VAL . 14.2 mm -82.42 -26.76 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.84 -27.46 36.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.638 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.9 m -108.18 -65.84 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.71 -116.18 0.73 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.42 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 40.0 t -124.39 112.53 27.86 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.54 0.21 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.66 -14.0 40.07 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.483 2.122 . . . . 0.0 112.475 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 12.9 t -80.58 -68.41 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.748 0.308 . . . . 0.0 111.252 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 31.2 p -77.86 -11.11 59.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.375 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 64.9 38.4 6.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.737 HG21 ' O ' ' B' ' 65' ' ' GLY . 91.4 m -105.17 132.97 20.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.717 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.3 143.27 76.37 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.372 2.048 . . . . 0.0 112.254 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.01 120.93 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . 0.423 ' CZ3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -87.29 -24.67 24.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' B' ' 96' ' ' LYS . 1.3 pt -108.45 105.89 19.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.59 -41.15 89.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -94.66 151.99 18.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' B' ' 95' ' ' LEU . 12.0 tp -65.34 79.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.874 ' O ' HG13 ' B' ' 61' ' ' VAL . 28.7 mttm -68.14 160.22 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.428 HD13 ' O ' ' B' ' 96' ' ' LYS . 27.0 mm -129.24 150.74 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -108.06 94.95 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 22.7 mtt-85 -58.62 -29.52 66.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.07 -59.84 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.719 HD13 HG21 ' B' ' 69' ' ' ILE . 1.5 mt -57.6 -36.77 72.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.737 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.587 ' HA ' HD12 ' B' ' 105' ' ' ILE . 47.1 t0 -63.32 -50.32 70.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.603 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.3 t -61.92 -31.89 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.635 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.8 ' SD ' HD21 ' A' ' 22' ' ' LEU . 4.2 mtp -59.97 -37.0 78.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.732 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.841 HG21 ' O ' ' B' ' 57' ' ' LEU . 10.1 mt -66.83 -45.89 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.19 -31.94 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.705 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -61.8 -48.66 79.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.47 ' SG ' HD21 ' B' ' 41' ' ' LEU . 52.8 t -60.45 -33.06 72.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.9 t -59.76 -39.95 86.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.721 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.664 ' O ' HD13 ' B' ' 114' ' ' LEU . 12.9 mtmt -61.97 -53.52 54.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.526 ' HB3' HD12 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -59.86 -36.25 76.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -59.56 -42.77 93.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.91 -34.21 44.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 10' ' ' GLU . 9.7 mp -70.22 -31.27 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.806 HD23 ' HB3' ' B' ' 34' ' ' TRP . 6.7 mt -69.63 -51.06 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -66.64 -74.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -176.21 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 62.38 149.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.09 86.76 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 tp -101.41 152.02 21.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.29 105.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.9 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.836 0.351 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.52 142.57 37.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.648 HD13 HG22 ' A' ' 97' ' ' THR . 2.0 mp -59.3 -175.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.84 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.414 ' HB2' HD23 ' A' ' 6' ' ' LEU . 57.1 m -54.38 -24.87 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.181 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.669 ' HA ' HG23 ' A' ' 8' ' ' VAL . . . 63.88 19.26 11.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.375 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.471 HD21 ' CZ2' ' B' ' 34' ' ' TRP . 0.7 OUTLIER -64.32 -28.62 69.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.987 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -177.07 47.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.756 HG11 HD11 ' A' ' 99' ' ' LEU . 35.7 t -68.24 -31.04 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.122 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.69 -50.9 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 14' ' ' VAL . 23.5 mm-40 -58.57 -54.0 51.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.729 HG13 HD23 ' B' ' 111' ' ' LEU . 21.6 t -59.79 -31.15 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.48 ' HA ' HD12 ' A' ' 15' ' ' ILE . 13.3 tm0? -72.03 -33.64 68.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.817 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -72.23 -39.33 68.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.76 HG22 ' HE3' ' B' ' 110' ' ' LYS . 20.8 t -59.79 -42.0 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 12' ' ' GLN . 5.5 mt -68.14 -31.25 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.47 -41.77 60.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.996 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -60.98 -54.2 47.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.682 ' HA ' HD12 ' A' ' 21' ' ' ILE . 13.7 ptp -57.37 -32.06 66.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.39 -38.59 84.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -62.37 -30.6 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 18' ' ' MET . 29.9 mt -68.44 -29.32 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.786 HD12 HG22 ' A' ' 83' ' ' VAL . 3.5 mm? -111.87 32.66 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.31 -168.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.466 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 9.5 t -116.21 138.83 24.53 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.952 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 24' ' ' CYS . 63.0 Cg_endo -92.91 11.6 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.943 2.429 . . . . 0.0 113.951 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.78 HD11 ' SG ' ' A' ' 47' ' ' CYS . 1.9 pp -139.22 -53.72 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.657 ' N ' HD12 ' A' ' 26' ' ' ILE . 27.7 p -105.6 -1.61 24.47 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 58.51 32.03 21.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.514 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 55.8 mt-10 -110.03 123.36 49.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.621 0.248 . . . . 0.0 110.885 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.051 HD12 HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -36.57 101.27 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.466 -179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.78 HG22 ' SG ' ' A' ' 44' ' ' CYS . 1.4 pp -53.53 113.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.578 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -39.26 13.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.721 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -102.41 89.24 1.63 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.681 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.03 102.09 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.506 2.137 . . . . 0.0 112.401 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.639 HG21 ' CE ' ' A' ' 45' ' ' LYS . 12.8 p -116.1 125.55 73.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.3 p -81.58 119.58 23.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.056 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.469 HG21 ' CD1' ' A' ' 43' ' ' PHE . 18.1 p -86.01 162.9 18.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.712 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -47.87 -27.4 2.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.542 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 t -94.04 25.3 3.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.215 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 53.59 46.16 26.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 111.211 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.951 ' ND1' HD22 ' A' ' 63' ' ' LEU . 33.8 m-70 -122.89 154.6 38.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.44 ' CG2' HD13 ' A' ' 31' ' ' ILE . 39.8 mm -98.1 149.84 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.379 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 28.3 m-85 -149.67 -176.82 5.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.707 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.78 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.3 m -100.33 22.66 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.056 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.639 ' CE ' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER 68.84 -65.47 0.28 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.023 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.823 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -55.58 -30.15 60.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.78 ' SG ' HD11 ' A' ' 26' ' ' ILE . 25.7 m -57.96 -36.19 72.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.679 ' SD ' HD11 ' A' ' 73' ' ' LEU . 15.1 mmt -62.43 -40.84 97.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 46' ' ' PHE . 5.5 mt -61.33 -55.58 30.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -39.9 95.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 59' ' ' SER . 14.0 tp -64.87 -35.97 82.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 59' ' ' SER . 4.0 mp -78.91 -32.14 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -82.58 -31.0 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -59.6 109.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt 61.24 155.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 132.32 44.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.34 168.31 12.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.29 -173.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.605 2.204 . . . . 0.0 112.395 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.685 ' HB3' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -82.05 -35.89 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 62.56 100.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 t -53.37 108.34 1.08 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.39 4.86 6.25 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.562 2.175 . . . . 0.0 112.919 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.951 HD22 ' ND1' ' A' ' 41' ' ' HIS . 2.1 mp -98.42 -34.03 10.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.714 0.292 . . . . 0.0 111.228 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.8 m -113.39 -81.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.101 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -177.56 63.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.987 0.422 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 64.86 134.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.72 39.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.565 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 69' ' ' THR . 6.9 mt -148.39 163.44 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.602 ' O ' HD21 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -155.87 -58.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.508 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -177.93 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.053 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? -69.32 74.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.666 ' C ' HD22 ' A' ' 73' ' ' LEU . 2.6 m -176.95 36.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.679 HD11 ' SD ' ' A' ' 48' ' ' MET . 3.9 mm? -121.99 142.04 50.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -151.68 99.98 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.13 100.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.1 p -99.83 156.41 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 77' ' ' THR . 90.5 m -103.57 64.76 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.682 ' HG2' HD11 ' B' ' 69' ' ' ILE . 4.9 mtm105 -114.73 -44.66 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.725 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.694 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.3 m-85 -104.68 31.43 4.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 p -86.32 -58.44 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.487 ' HB2' HD11 ' B' ' 47' ' ' LEU . 9.1 mm-40 -67.78 -31.25 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 79' ' ' PHE . 66.6 mt -59.75 -40.85 89.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.051 HG13 HD12 ' A' ' 30' ' ' LEU . 42.8 t -70.91 -51.57 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.01 -44.31 93.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -58.97 -38.63 79.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.816 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.4 -39.56 83.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.561 HD21 ' HG ' ' A' ' 30' ' ' LEU . 3.5 mm? -59.83 -41.57 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -64.2 -32.42 73.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.816 HD12 ' HA ' ' A' ' 86' ' ' LEU . 17.4 mt -72.82 -42.11 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.818 HD13 ' CE2' ' A' ' 101' ' ' TYR . 31.2 mt -74.63 -42.21 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 36.6 m -60.39 -37.64 81.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.728 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -69.77 -36.95 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.3 -51.88 67.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -60.41 -31.17 70.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.77 -31.29 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.487 ' CB ' HD11 ' A' ' 3' ' ' LEU . 3.5 t0 -104.88 -69.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.648 HG22 HD13 ' A' ' 3' ' ' LEU . 32.2 p -65.83 -41.83 91.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 64.34 26.47 70.65 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.548 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.756 HD11 HG11 ' A' ' 8' ' ' VAL . 12.6 mt -82.11 152.38 26.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.744 0.307 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.2 132.89 51.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.818 ' CE2' HD13 ' A' ' 90' ' ' ILE . 3.2 t80 -98.84 171.46 8.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.08 -69.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.91 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 4.4 ttt . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.818 0.342 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -106.38 152.49 40.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.01 -168.34 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.648 2.232 . . . . 0.0 112.181 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -131.53 -46.65 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.77 152.47 17.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 60.61 -170.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.46 62.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.6 152.03 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.083 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.808 ' HB3' HD23 ' B' ' 115' ' ' LEU . 1.6 m95 61.5 38.24 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.16 -64.35 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.728 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -62.92 -31.47 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -69.35 -31.61 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.448 ' NH2' ' CE1' ' B' ' 116' ' ' HIS . 0.1 OUTLIER -66.32 -41.91 88.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -53.5 52.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.432 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -59.81 -32.38 70.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.074 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.694 HD22 ' CD1' ' B' ' 115' ' ' LEU . 14.7 tp -59.9 -46.05 90.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -61.53 -34.88 76.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -60.08 -36.03 76.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' B' ' 48' ' ' LEU . 2.0 tt -70.53 -41.42 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.69 -30.35 67.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.79 -22.0 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.506 ' CB ' HD21 ' A' ' 82' ' ' LEU . 3.3 mm? -92.57 -25.81 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.51 ' CD2' HD23 ' B' ' 44' ' ' LEU . 3.7 mm? -84.54 -28.77 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.199 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 122.19 8.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.052 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 0.62 ' HB2' HD23 ' B' ' 57' ' ' LEU . 43.9 t -58.95 156.39 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.45 ' CB ' ' CE2' ' B' ' 70' ' ' PHE . 0.4 OUTLIER -81.86 -36.44 28.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.438 ' HD3' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -94.37 -63.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.786 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.404 ' O ' ' CG2' ' B' ' 54' ' ' THR . 21.7 m -59.81 -19.42 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.222 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 4.7 t 44.32 67.21 0.71 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 111.431 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -177.5 -174.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 33.9 mm -67.96 127.58 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.009 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.778 ' O ' HD13 ' B' ' 105' ' ' ILE . 0.4 OUTLIER -112.85 172.27 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.455 ' HA ' HD13 ' B' ' 105' ' ' ILE . 0.0 OUTLIER -142.77 119.17 10.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.741 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 3.6 tt0 57.56 53.34 6.09 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.618 ' HG3' HD13 ' B' ' 57' ' ' LEU . 60.8 Cg_endo -72.74 -168.38 0.4 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.625 2.217 . . . . 0.0 112.458 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.504 HG13 ' O ' ' B' ' 96' ' ' LYS . 30.9 t -136.51 152.1 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 17.8 p -98.09 125.34 43.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.747 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.475 HD23 ' CG1' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -58.96 -67.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.061 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -146.86 -99.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.38 49.22 0.86 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.3 p -122.75 -146.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -114.89 -30.68 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -59.9 123.9 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.682 HD11 ' HG2' ' A' ' 78' ' ' ARG . 3.6 mt -127.16 147.77 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.002 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 1.3 m-85 -140.82 162.73 34.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 13.8 p -71.62 163.01 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.6 t -69.41 70.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -178.98 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 98.0 m -64.28 -46.95 81.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.475 ' CG1' HD23 ' B' ' 63' ' ' LEU . 35.5 m -76.7 -32.48 20.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.26 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.443 ' HA ' HD11 ' B' ' 95' ' ' LEU . 25.2 t -48.06 -28.49 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.341 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.29 -49.39 64.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 12.3 p -137.36 56.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.649 HD11 ' CD1' ' B' ' 92' ' ' ILE . 0.6 OUTLIER -95.62 139.7 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.404 179.813 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . 0.443 ' N ' HG13 ' B' ' 79' ' ' ILE . . . 112.4 -29.65 8.14 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.809 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -75.24 -28.93 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' B' ' 89' ' ' PRO . . . 106.71 139.66 9.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.401 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 43.8 t -56.45 127.06 71.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.506 0.193 . . . . 0.0 111.047 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.05 -17.62 11.83 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.47 2.113 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.72 -66.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 31.8 p -76.4 -6.6 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.394 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 62.33 34.28 15.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 18.3 m -109.94 138.25 20.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . 0.402 ' HA ' ' HA3' ' B' ' 82' ' ' GLY . 64.6 Cg_endo -73.64 144.49 35.67 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.454 2.103 . . . . 0.0 112.372 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.56 95.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.99 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -57.23 -23.29 46.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.268 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.649 ' CD1' HD11 ' B' ' 79' ' ' ILE . 1.5 pt -102.01 93.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.15 -30.46 69.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -99.22 161.07 13.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' B' ' 76' ' ' SER . 4.3 mm? -71.85 72.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.642 ' HD2' HG22 ' B' ' 92' ' ' ILE . 9.4 mttp -69.37 175.74 3.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.473 HG22 ' N ' ' B' ' 98' ' ' ASN . 22.2 mm -132.66 158.88 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.188 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . 0.473 ' N ' HG22 ' B' ' 97' ' ' ILE . 9.6 m120 -113.57 84.94 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -30.47 66.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.033 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -69.01 -45.44 70.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' B' ' 101' ' ' LEU . 12.4 mt -71.29 -32.41 68.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.827 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.539 ' HA ' HD12 ' B' ' 105' ' ' ILE . 40.3 t0 -61.44 -53.39 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.512 ' O ' HD23 ' B' ' 107' ' ' LEU . 0.3 OUTLIER -63.24 -30.33 71.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.626 ' HG2' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -59.18 -43.42 92.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.778 HD13 ' O ' ' B' ' 57' ' ' LEU . 4.7 mt -62.64 -49.9 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -30.29 68.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.996 HD11 ' HB3' ' A' ' 17' ' ' ALA . 2.4 mm? -68.9 -51.18 42.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -31.4 69.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -65.65 -38.22 88.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.76 ' HE3' HG22 ' A' ' 14' ' ' VAL . 27.6 mtmt -60.44 -50.28 74.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' B' ' 114' ' ' LEU . 13.3 mt -59.95 -35.55 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -58.86 -42.85 90.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -73.96 -31.19 62.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' B' ' 111' ' ' LEU . 8.2 mt -74.31 -44.74 51.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' B' ' 34' ' ' TRP . 4.5 mt -60.35 -50.6 72.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . 0.448 ' CE1' ' NH2' ' B' ' 38' ' ' ARG . 10.8 m-70 -80.31 -31.04 38.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 t0 61.62 153.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -106.04 35.83 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -141.88 89.55 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.1 tt -141.08 -55.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 51.7 m 60.35 85.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.821 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.414 ' O ' HG21 ' A' ' 8' ' ' VAL . 66.0 m-20 -154.67 29.92 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.622 HD21 ' HB1' ' B' ' 33' ' ' ALA . 0.2 OUTLIER 56.66 32.4 21.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.477 ' HB2' HD23 ' A' ' 6' ' ' LEU . 0.7 OUTLIER 62.39 18.57 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.082 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.92 22.64 5.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.739 0.304 . . . . 0.0 111.416 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 6' ' ' LEU . 2.8 pp -87.95 109.42 19.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 56.26 30.66 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 2' ' ' ASP . 22.0 t -94.46 -30.78 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.98 -47.44 62.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.712 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.4 mp0 -58.65 -55.93 28.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.88 HG22 HD13 ' B' ' 114' ' ' LEU . 32.8 t -58.92 -32.35 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.85 -44.09 97.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -71.91 -34.39 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.773 HG13 HD23 ' B' ' 107' ' ' LEU . 39.9 t -59.81 -58.64 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.596 HD11 HG12 ' A' ' 11' ' ' VAL . 5.1 mt -55.56 -34.2 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.508 HD21 ' HB2' ' A' ' 102' ' ' ALA . 20.6 t-20 -68.37 -35.56 77.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.711 ' HB3' HD21 ' B' ' 107' ' ' LEU . . . -70.66 -35.66 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.717 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.79 ' HB3' HD11 ' A' ' 86' ' ' LEU . 7.0 tpp -61.61 -35.72 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.31 -39.75 78.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.853 HD13 ' HG2' ' B' ' 104' ' ' MET . 55.5 mt -59.08 -42.66 87.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.72 HD23 ' CD2' ' A' ' 79' ' ' PHE . 1.2 mp -107.57 40.38 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -92.11 -178.27 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 8.8 t -99.27 139.58 21.05 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.468 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 62.4 Cg_endo -92.79 -12.53 1.58 Allowed 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.739 2.293 . . . . 0.0 114.602 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.842 HD11 ' HA ' ' A' ' 47' ' ' CYS . 4.0 pt -129.39 -34.95 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.519 ' N ' HG13 ' A' ' 26' ' ' ILE . 21.4 m -98.63 -18.87 17.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.759 0.314 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.428 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 2.1 mm? 62.08 26.73 16.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.778 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.7 mm-40 -113.76 127.13 55.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.758 HD11 HG13 ' A' ' 83' ' ' VAL . 22.0 tp -38.91 101.82 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 111.428 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 44' ' ' CYS . 40.4 pt -51.72 134.91 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.617 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.19 -38.24 5.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.634 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -114.53 81.77 7.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.521 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.403 ' HG2' ' N ' ' A' ' 80' ' ' SER . 71.6 Cg_exo -48.59 137.2 26.4 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.753 2.302 . . . . 0.0 112.781 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.407 HG22 ' HD3' ' A' ' 45' ' ' LYS . 4.8 t -138.08 126.31 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.826 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 p -93.99 109.68 21.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.599 HG21 ' CE2' ' A' ' 43' ' ' PHE . 5.2 p -75.44 159.68 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HD3' ' CD1' ' B' ' 91' ' ' TRP . 11.4 mmtt -49.55 -26.37 3.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.468 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.7 m -92.63 21.79 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 t0 57.13 53.16 8.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.351 . . . . 0.0 111.18 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.941 ' ND1' HD22 ' A' ' 63' ' ' LEU . 89.2 m-70 -125.62 147.68 49.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.884 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.403 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 41.7 mm -94.87 152.02 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.066 0.46 . . . . 0.0 111.386 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.599 ' CE2' HG21 ' A' ' 37' ' ' THR . 71.7 m-85 -157.19 -177.73 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.732 ' HB3' HG22 ' A' ' 31' ' ' ILE . 19.8 p -116.48 31.72 6.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.795 0.331 . . . . 0.0 110.975 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HD3' HG22 ' A' ' 35' ' ' VAL . 3.5 mmmm 69.18 -64.34 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.535 ' HA ' HD12 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -47.57 -29.16 2.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.842 ' HA ' HD11 ' A' ' 26' ' ' ILE . 85.8 m -62.95 -38.06 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.0 mmt -63.89 -31.27 72.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 46' ' ' PHE . 18.5 mt -66.79 -58.62 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -64.56 -36.02 82.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tp -70.65 -31.29 68.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 59' ' ' SER . 29.7 mt -79.88 -41.97 25.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -93.42 1.64 56.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.404 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.787 0.327 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -88.73 -78.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -179.98 132.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.91 -155.87 35.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.59 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.68 153.54 5.48 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.663 2.242 . . . . 0.0 112.439 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.618 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -60.61 -169.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.782 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -152.09 99.1 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.004 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.6 t -46.57 104.86 0.43 Allowed Pre-proline 0 CA--C 1.53 0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.236 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.44 -3.69 14.24 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.456 2.104 . . . . 0.0 112.766 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.941 HD22 ' ND1' ' A' ' 41' ' ' HIS . 5.0 mp -93.45 -25.66 17.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.727 0.298 . . . . 0.0 111.302 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 96.1 m -119.86 -81.94 0.64 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.081 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.9 61.62 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.965 0.412 . . . . 0.0 110.756 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 63.97 133.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.2 41.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 69' ' ' THR . 20.6 mt -140.16 159.41 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.263 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -133.71 -174.24 3.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -67.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.25 93.33 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -160.8 29.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.99 -178.27 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -140.04 86.14 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.46 101.52 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -126.39 166.17 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.7 m -93.22 80.97 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.843 ' CD ' HD11 ' B' ' 69' ' ' ILE . 41.6 mtm-85 -116.98 -59.05 2.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.72 ' CD2' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -98.96 30.61 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -91.13 -64.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.642 ' CB ' HD21 ' B' ' 47' ' ' LEU . 7.4 mt-30 -59.64 -30.0 68.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.664 ' HB3' HD21 ' A' ' 22' ' ' LEU . 15.2 mt -63.18 -36.87 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.758 HG13 HD11 ' A' ' 30' ' ' LEU . 34.3 t -71.18 -52.94 23.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.09 -39.47 75.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.48 -42.54 92.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.706 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 18' ' ' MET . 0.2 OUTLIER -53.36 -47.2 69.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' A' ' 90' ' ' ILE . 7.8 mp -58.79 -32.02 68.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -71.55 -34.2 69.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.849 HG12 ' HB1' ' B' ' 40' ' ' ALA . 34.1 mt -74.49 -43.01 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.972 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.8 mt -63.59 -39.63 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -45.52 92.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.948 ' HB1' ' CG ' ' B' ' 36' ' ' HIS . . . -59.71 -33.34 71.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 97' ' ' THR . 17.5 t80 -59.23 -49.14 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -68.88 -27.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 92' ' ' ALA . 12.5 mt -60.12 -46.88 88.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.083 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -94.73 -65.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.182 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.598 HG21 ' CE1' ' A' ' 93' ' ' PHE . 1.8 p -64.97 -58.04 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.732 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.55 14.48 56.89 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.542 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.426 ' CD2' ' HB ' ' A' ' 97' ' ' THR . 3.1 mm? -79.18 151.69 31.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 117.066 0.433 . . . . 0.0 110.846 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.45 168.49 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.421 ' CD1' HG23 ' A' ' 90' ' ' ILE . 55.8 t80 -132.92 163.9 28.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.508 ' HB2' HD21 ' A' ' 16' ' ' ASN . . . -59.72 147.95 35.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.851 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.803 0.335 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.421 ' CB ' ' CD ' ' B' ' 28' ' ' PRO . 2.1 mt-10 -178.48 -61.58 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' B' ' 27' ' ' GLU . 58.2 Cg_endo -71.58 133.58 22.56 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.431 2.088 . . . . 0.0 112.351 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.28 151.13 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.69 161.5 54.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.522 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -106.18 149.83 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.7 -151.61 5.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.562 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.622 ' HB1' HD21 ' A' ' 3' ' ' LEU . . . -162.2 175.15 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.564 ' CZ2' HD22 ' A' ' 3' ' ' LEU . 19.5 m95 58.6 28.1 16.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.45 -53.99 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.948 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 1.5 p80 -62.48 -29.88 70.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.847 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.408 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 24.5 t -66.82 -39.02 87.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -49.41 77.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.811 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.11 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.003 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.849 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -67.37 -41.54 84.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.692 HD12 ' HB3' ' B' ' 111' ' ' LEU . 3.6 tt -58.88 -46.49 87.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.54 -31.39 72.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -67.41 -43.89 80.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.655 HD23 ' O ' ' B' ' 44' ' ' LEU . 4.0 tt -66.03 -37.01 84.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.808 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.65 -32.17 73.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -57.92 -26.92 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.646 HD23 ' HG ' ' A' ' 82' ' ' LEU . 6.7 mp -93.46 16.21 14.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.259 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.542 HD11 HD22 ' B' ' 101' ' ' LEU . 1.5 mp -131.53 -39.6 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.184 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -44.55 111.76 0.34 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.301 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 50.6 t -54.48 154.69 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.61 -37.6 41.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.409 ' HD3' ' CD2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -88.88 -61.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' THR . 93.5 m -60.9 -19.56 60.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.0 t 44.59 45.01 7.7 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.855 0.359 . . . . 0.0 111.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -157.7 -168.01 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' B' ' 105' ' ' ILE . 34.5 mm -63.08 146.22 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.483 HD12 ' HG ' ' B' ' 48' ' ' LEU . 76.4 mt -86.76 165.6 15.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.27 100.36 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.584 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.588 ' CG ' HG21 ' B' ' 97' ' ' ILE . 6.4 tt0 56.15 51.84 6.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 73.9 Cg_endo -75.35 175.4 11.32 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.62 2.213 . . . . 0.0 112.587 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.941 HG22 HD13 ' B' ' 97' ' ' ILE . 47.5 t -136.1 143.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.54 167.47 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.762 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.479 HD23 ' CG1' ' B' ' 75' ' ' VAL . 0.5 OUTLIER -107.78 -51.83 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -59.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.96 42.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.421 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 p -120.9 30.64 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.006 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 61.96 19.3 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.16 124.39 50.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.843 HD11 ' CD ' ' A' ' 78' ' ' ARG . 15.5 mt -138.74 142.09 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.409 ' CD2' ' HD3' ' B' ' 52' ' ' ARG . 1.6 m-85 -147.33 178.1 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 21.9 m -59.73 173.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.652 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.3 OUTLIER -63.08 -42.56 99.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -95.67 19.42 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.234 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -99.63 -30.8 11.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.479 ' CG1' HD23 ' B' ' 63' ' ' LEU . 33.4 m -104.66 -36.74 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.338 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.403 ' HA ' ' CG2' ' B' ' 79' ' ' ILE . 37.6 t -41.42 -30.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.851 -179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -47.96 -44.03 29.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.876 0.37 . . . . 0.0 110.983 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . 0.845 ' O ' HG22 ' B' ' 81' ' ' THR . 6.6 m -136.48 12.12 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.103 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 1.102 HD11 HD11 ' B' ' 92' ' ' ILE . 0.1 OUTLIER -56.9 133.55 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.402 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.6 -26.51 10.09 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.845 HG22 ' O ' ' B' ' 78' ' ' CYS . 12.0 t -94.61 -30.95 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.72 140.25 5.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.42 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . 0.423 ' N ' HD11 ' B' ' 63' ' ' LEU . 53.8 t -58.41 116.32 14.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.526 0.203 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.97 -2.36 12.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.436 2.091 . . . . 0.0 112.698 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 t -103.14 -24.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.774 0.321 . . . . 0.0 111.281 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.06 -19.91 13.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 65.99 49.07 1.66 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.474 HG23 ' HD2' ' B' ' 89' ' ' PRO . 89.9 m -132.58 139.31 34.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' B' ' 88' ' ' THR . 57.2 Cg_endo -71.08 149.41 58.45 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.436 2.091 . . . . 0.0 112.317 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.5 145.84 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . 0.417 ' CD1' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -128.15 18.35 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 1.102 HD11 HD11 ' B' ' 79' ' ' ILE . 15.7 pt -106.76 -37.82 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 70.54 -59.63 0.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.022 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.96 -176.46 5.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.687 HD13 HG11 ' B' ' 61' ' ' VAL . 4.4 mm? -101.61 72.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.739 ' O ' HG13 ' B' ' 61' ' ' VAL . 0.0 OUTLIER -70.79 140.79 51.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.941 HD13 HG22 ' B' ' 61' ' ' VAL . 25.1 mm -104.78 137.82 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -80.63 87.18 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.792 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -58.96 -30.58 68.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.485 HE21 HG23 ' A' ' 21' ' ' ILE . 21.9 mm100 -71.93 -42.5 66.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.542 HD22 HD11 ' B' ' 48' ' ' LEU . 7.5 mt -68.42 -34.7 76.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.761 ' HA ' HD12 ' B' ' 105' ' ' ILE . 5.4 m-20 -61.33 -43.92 98.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.645 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.7 m -63.01 -33.43 75.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.787 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.853 ' HG2' HD13 ' A' ' 21' ' ' ILE . 5.8 mtp -57.86 -44.39 86.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' B' ' 102' ' ' ASP . 4.0 mt -59.28 -57.17 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.238 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -55.7 -47.57 76.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.773 HD23 HG13 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -59.03 -43.87 91.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.4 t -58.49 -31.14 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.668 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -36.54 82.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.65 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.65 ' CE ' HD23 ' B' ' 107' ' ' LEU . 5.3 mtmm -58.33 -52.47 65.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.788 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.692 ' HB3' HD12 ' B' ' 41' ' ' LEU . 0.4 OUTLIER -57.5 -35.58 70.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.968 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.707 ' HA ' HD12 ' B' ' 115' ' ' LEU . 5.1 mtt180 -58.5 -49.07 78.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -64.88 -42.27 94.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.88 HD13 HG22 ' A' ' 11' ' ' VAL . 8.6 mt -65.37 -31.75 73.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' B' ' 112' ' ' ARG . 10.1 mt -63.68 -37.95 89.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -127.93 106.9 9.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.68 141.62 53.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 -31.44 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -102.55 153.98 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 11.7 tp -130.15 124.05 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.31 81.53 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.817 0.341 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -101.71 99.58 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.798 HD22 HG22 ' A' ' 97' ' ' THR . 1.2 tt -73.84 78.14 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.627 ' HA ' HG21 ' A' ' 8' ' ' VAL . 3.9 m -166.35 30.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 4' ' ' SER . . . 175.66 -34.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.331 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 7' ' ' ARG . 3.3 pp -52.19 -38.54 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.337 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.834 ' HB2' HD12 ' A' ' 6' ' ' LEU . 2.7 mtt85 -171.88 48.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.832 ' CG1' HD22 ' A' ' 99' ' ' LEU . 18.7 t -104.8 -42.61 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -61.4 -36.95 81.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 14' ' ' VAL . 62.8 mm-40 -67.49 -49.71 62.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.747 HG13 ' CD2' ' B' ' 111' ' ' LEU . 27.1 t -66.16 -38.06 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.026 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.12 -39.03 84.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -69.12 -32.6 72.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 10' ' ' GLU . 29.9 t -68.26 -52.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.662 HD11 HG12 ' A' ' 11' ' ' VAL . 4.0 mt -58.2 -26.74 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -72.35 -36.63 68.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.697 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -71.46 -56.27 6.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.872 ' HE3' HD12 ' B' ' 107' ' ' LEU . 8.9 ptp -55.48 -28.4 54.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.408 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 3.7 tt0 -70.71 -38.25 73.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -62.98 -31.38 72.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 18' ' ' MET . 43.9 mt -64.21 -37.85 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.815 HD21 ' CE ' ' B' ' 104' ' ' MET . 4.3 mt -98.77 30.35 3.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.94 -167.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -129.56 137.74 31.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.68 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.61 40.04 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.889 2.392 . . . . 0.0 114.315 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.453 HD12 ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -153.24 -38.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.388 179.134 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.51 -9.46 12.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.994 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 62.02 59.75 1.63 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.818 0.342 . . . . 0.0 110.602 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -155.54 173.12 17.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.165 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD23 ' CG1' ' A' ' 83' ' ' VAL . 6.4 mp -56.66 -174.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.769 HD13 ' CG2' ' A' ' 42' ' ' ILE . 2.1 pt -139.29 94.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -60.35 -51.93 67.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.791 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -105.7 84.22 1.17 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.792 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.696 ' HB3' HD12 ' A' ' 31' ' ' ILE . 30.8 Cg_endo -64.1 119.06 5.99 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.56 2.173 . . . . 0.0 112.319 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 HD12 ' A' ' 73' ' ' LEU . 11.3 p -125.04 121.32 60.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.7 p -75.21 115.08 14.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.682 ' HA ' HD13 ' A' ' 73' ' ' LEU . 10.2 p -80.39 164.08 23.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.75 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -28.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.572 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.455 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 3.6 m -94.77 26.08 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.25 44.95 29.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.214 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.907 ' ND1' HD22 ' A' ' 63' ' ' LEU . 80.3 m-70 -117.85 152.39 35.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.006 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.769 ' CG2' HD13 ' A' ' 31' ' ' ILE . 16.3 mm -100.53 137.58 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.258 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CE2' HD12 ' A' ' 26' ' ' ILE . 15.7 m-85 -135.69 -179.54 5.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.65 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.669 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.8 m -97.3 26.41 4.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.971 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.38 -68.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.611 ' CD1' HD22 ' A' ' 49' ' ' LEU . 2.3 t80 -59.59 -29.03 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.2 m -56.78 -30.48 63.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.566 ' O ' HD12 ' A' ' 52' ' ' LEU . 8.5 mmt -75.14 -35.79 61.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 46' ' ' PHE . 8.7 mp -60.16 -44.74 94.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -39.31 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.23 -30.56 70.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 48' ' ' MET . 2.7 mt -79.9 -30.7 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -89.34 -30.51 18.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -58.92 -31.25 68.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -121.54 142.7 49.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -60.05 130.09 45.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.04 -156.63 50.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -50.89 142.98 31.75 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.655 2.237 . . . . 0.0 112.33 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.48 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -59.84 -175.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -132.59 108.15 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.446 ' HA ' HD11 ' A' ' 68' ' ' ILE . 48.1 t -56.91 109.57 1.8 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.14 -15.02 20.66 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.426 2.084 . . . . 0.0 112.717 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.907 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.8 mp -79.7 -29.17 40.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.189 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 m -137.21 20.0 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.296 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? 49.95 27.46 2.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.234 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -172.42 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -123.35 101.26 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 69' ' ' THR . 5.6 mt -82.48 158.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -124.88 -176.71 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -82.4 -31.58 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -98.52 30.76 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -113.72 -33.54 5.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 37' ' ' THR . 3.8 mm? -58.66 153.18 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -141.54 89.11 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.58 101.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -168.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.5 m -131.85 75.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.591 ' CB ' HD11 ' B' ' 69' ' ' ILE . 0.4 OUTLIER -113.53 -37.15 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.765 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.766 ' CD1' HD22 ' A' ' 22' ' ' LEU . 1.7 m-85 -121.09 34.11 5.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.811 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -95.24 -59.75 1.82 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.5 ' HB2' HD11 ' B' ' 47' ' ' LEU . 14.2 mt-30 -57.58 -30.14 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' B' ' 47' ' ' LEU . 0.4 OUTLIER -68.34 -34.04 75.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 79' ' ' PHE . 36.2 t -72.72 -53.05 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.89 -46.16 90.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.788 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -60.17 -32.55 71.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.728 HD11 ' SD ' ' A' ' 18' ' ' MET . 10.2 tp -64.77 -42.44 95.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.9 tp -58.78 -36.73 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.608 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -65.38 -32.68 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.503 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.59 HD12 HD12 ' A' ' 86' ' ' LEU . 43.9 mt -73.56 -32.82 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.778 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 87' ' ' LEU . 6.3 mt -80.56 -30.35 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.011 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.63 -44.31 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' B' ' 36' ' ' HIS . . . -69.47 -37.18 77.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.475 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 58.9 t80 -58.91 -60.7 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -26.95 44.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -54.04 51.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.668 ' O ' HD13 ' A' ' 3' ' ' LEU . 11.7 t0 -100.55 32.98 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.798 HG22 HD22 ' A' ' 3' ' ' LEU . 30.7 p -157.56 123.96 4.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.611 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.61 11.19 53.33 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.697 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.832 HD22 ' CG1' ' A' ' 8' ' ' VAL . 3.4 mp -88.8 -25.97 21.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.933 0.397 . . . . 0.0 110.827 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 53.74 173.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.446 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -74.77 -66.55 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -175.35 156.35 2.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.3 m120 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.964 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 11.1 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.832 0.348 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.75 155.96 66.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.16 -177.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -152.1 -58.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.77 70.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.92 119.56 39.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 158.19 165.82 16.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.88 141.88 35.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.849 0.357 . . . . 0.0 111.031 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.739 ' CH2' HD21 ' A' ' 3' ' ' LEU . 18.8 m95 60.81 31.69 20.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.27 -53.33 4.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.528 ' HB2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -61.77 -31.22 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.0 m -75.64 -31.3 59.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -59.94 -46.07 90.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.76 -46.53 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.539 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -60.11 -32.98 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.531 HD12 ' HB3' ' B' ' 111' ' ' LEU . 8.2 tt -60.16 -51.5 69.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -35.02 74.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -58.96 -34.16 71.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.645 HD23 HD23 ' B' ' 48' ' ' LEU . 7.3 tt -78.15 -34.56 49.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.3 -27.94 66.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -31.74 62.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.541 ' HB3' HD11 ' A' ' 82' ' ' LEU . 3.9 mm? -81.13 -30.7 34.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.796 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.786 ' HA ' HD12 ' B' ' 57' ' ' LEU . 3.7 mm? -84.24 -21.69 31.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.87 114.84 7.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 49.9 t -59.55 156.98 12.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.73 -32.05 17.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.88 -63.34 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 61.1 m -67.28 -14.27 62.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.339 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.3 t 44.59 50.09 8.41 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.979 0.418 . . . . 0.0 111.383 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -149.61 -177.07 5.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.771 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.6 123.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.004 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' B' ' 48' ' ' LEU . 5.3 mt -58.69 141.58 52.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.31 104.32 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.499 ' N ' ' HD3' ' B' ' 60' ' ' PRO . 0.4 OUTLIER 51.12 62.15 11.88 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.471 -179.333 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.765 ' CG ' HD22 ' B' ' 57' ' ' LEU . 2.1 Cg_endo -82.76 -164.88 0.29 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.039 2.492 . . . . 0.0 112.641 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.609 HG13 HG11 ' B' ' 75' ' ' VAL . 7.7 p -156.94 158.7 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.481 ' N ' HG22 ' B' ' 61' ' ' VAL . 20.6 p -83.45 133.96 34.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.629 ' O ' HD13 ' B' ' 63' ' ' LEU . 0.8 OUTLIER -59.48 -36.3 75.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.18 -54.81 0.19 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.92 42.47 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.554 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.85 -52.49 2.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.693 0.282 . . . . 0.0 111.065 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 164.86 -29.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -64.57 141.51 58.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.407 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.591 HD11 ' CB ' ' A' ' 78' ' ' ARG . 6.4 mt -151.04 134.58 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.439 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' B' ' 69' ' ' ILE . 3.8 m-85 -151.54 173.38 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.943 0.402 . . . . 0.0 111.145 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.55 ' O ' HG23 ' B' ' 75' ' ' VAL . 10.0 p -65.57 159.8 23.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.734 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m -50.96 -26.13 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.379 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.27 17.65 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.418 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 25.0 m -145.07 19.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.245 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.619 ' O ' HG12 ' B' ' 75' ' ' VAL . 21.2 t -134.66 32.49 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.166 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 34.3 t -122.45 -35.99 3.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.216 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -57.88 118.41 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 111.115 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 3.2 m 61.76 30.48 18.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.577 HD11 HD21 ' B' ' 63' ' ' LEU . 28.9 mm -108.54 158.74 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.989 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . 0.499 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 101.14 -26.41 24.72 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.953 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -105.53 -28.25 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 0.0 110.609 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.75 139.01 3.76 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.469 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.47 134.97 93.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.572 0.225 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.52 -22.05 6.97 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.669 2.246 . . . . 0.0 112.627 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.89 -67.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.293 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 13.8 m -71.38 -15.0 62.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.228 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 63.19 27.19 15.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.808 0.337 . . . . 0.0 110.752 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 87.8 m -102.95 123.17 43.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.33 142.92 45.52 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.465 2.11 . . . . 0.0 112.281 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.71 80.57 8.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -23.89 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.306 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.462 HG21 ' SG ' ' B' ' 62' ' ' CYS . 0.6 OUTLIER -59.32 -45.43 93.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.307 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.15 -63.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.03 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.81 172.54 10.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' B' ' 95' ' ' LEU . 7.6 tp -102.04 72.84 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.428 ' HZ3' HG22 ' B' ' 92' ' ' ILE . 1.0 OUTLIER -77.13 -173.65 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.733 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.413 HG23 ' O ' ' B' ' 60' ' ' PRO . 17.8 mm -133.74 147.68 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 111.251 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -92.63 85.18 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.572 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -51.38 -28.84 13.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.357 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.498 ' O ' HG21 ' A' ' 21' ' ' ILE . 5.1 mm-40 -70.06 -41.87 73.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.689 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' B' ' 101' ' ' LEU . 11.6 mt -72.67 -34.23 67.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.603 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.818 ' HA ' HD12 ' B' ' 105' ' ' ILE . 4.7 m-20 -59.63 -59.39 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.766 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -29.59 67.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.815 ' CE ' HD21 ' A' ' 22' ' ' LEU . 28.4 tpp -64.46 -44.0 92.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' B' ' 102' ' ' ASP . 4.8 mt -56.59 -54.44 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -29.98 69.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.669 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.872 HD12 ' HE3' ' A' ' 18' ' ' MET . 0.4 OUTLIER -60.99 -50.66 72.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -35.5 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 41.5 m -59.94 -33.71 72.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.673 ' HE2' HD13 ' B' ' 107' ' ' LEU . 0.9 OUTLIER -67.34 -46.06 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.747 ' CD2' HG13 ' A' ' 11' ' ' VAL . 12.7 mt -59.88 -39.11 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.421 ' HD2' ' CD2' ' B' ' 116' ' ' HIS . 0.1 OUTLIER -64.95 -47.73 76.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -58.74 -31.37 68.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 11' ' ' VAL . 10.9 mt -76.55 -30.48 57.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.598 HD23 ' HB3' ' B' ' 34' ' ' TRP . 56.0 mt -59.96 -67.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . 0.421 ' CD2' ' HD2' ' B' ' 112' ' ' ARG . 16.3 p80 -76.23 91.26 3.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.217 0.532 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -99.51 145.31 27.62 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 28.8 t30 60.35 78.89 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -140.69 133.2 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 50.1 tp -166.92 -48.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 -66.83 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.811 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ttp . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.796 0.331 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.524 ' OD1' HD21 ' A' ' 99' ' ' LEU . 0.9 OUTLIER 62.49 148.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.946 HD23 ' HB1' ' B' ' 33' ' ' ALA . 10.9 mp -82.94 59.21 4.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m 66.6 11.52 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.504 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.42 23.71 3.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.588 0.232 . . . . 0.0 111.534 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -71.18 -29.99 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.998 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 11' ' ' VAL . 5.5 ptp180 -173.81 35.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.034 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.59 HG11 HD11 ' A' ' 99' ' ' LEU . 22.8 t -74.5 -51.69 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -60.17 -30.6 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.62 ' HB3' HD21 ' B' ' 114' ' ' LEU . 62.8 mm-40 -63.82 -60.71 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.794 HG13 ' CD2' ' B' ' 111' ' ' LEU . 21.5 t -58.27 -38.89 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.509 ' HA ' HD12 ' A' ' 15' ' ' ILE . 33.7 tt0 -59.45 -39.12 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.89 -31.12 68.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.57 HG13 ' HE3' ' B' ' 110' ' ' LYS . 21.6 t -71.76 -49.11 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.618 HD11 HG12 ' A' ' 11' ' ' VAL . 5.5 mt -55.86 -33.23 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -63.23 -54.5 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.506 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 21' ' ' ILE . . . -59.67 -33.7 71.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.956 ' HE2' HD12 ' B' ' 107' ' ' LEU . 8.1 tpp -61.06 -34.64 75.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.568 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.638 HE21 HD13 ' A' ' 30' ' ' LEU . 3.4 tt0 -71.03 -30.47 66.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.717 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -57.15 -38.3 73.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.859 HG21 ' CG ' ' B' ' 104' ' ' MET . 4.9 mp -68.24 -37.97 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.658 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.802 HD12 HG22 ' A' ' 83' ' ' VAL . 3.8 mm? -98.68 31.47 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.69 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -95.87 -167.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.452 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 13.9 t -113.15 138.65 22.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.854 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -93.48 14.67 1.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.975 2.45 . . . . 0.0 114.191 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 27' ' ' CYS . 2.4 pp -141.66 -41.32 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.488 ' HB3' HD12 ' A' ' 26' ' ' ILE . 27.7 p -123.53 4.91 8.97 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.68 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.6 mm? 54.27 29.83 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.741 -0.208 . . . . 0.0 111.412 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 73.0 mm-40 -101.13 118.84 37.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.581 0.229 . . . . 0.0 110.732 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.648 ' CD2' HD11 ' A' ' 87' ' ' LEU . 14.6 tp -39.96 99.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.943 0.401 . . . . 0.0 111.299 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.853 HG22 ' SG ' ' A' ' 44' ' ' CYS . 18.5 pt -52.17 129.54 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.539 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -104.48 -35.7 7.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.627 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.2 mt-10 -114.41 81.04 6.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.516 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' CA ' ' A' ' 80' ' ' SER . 77.0 Cg_exo -47.94 114.7 1.19 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.619 2.213 . . . . 0.0 112.701 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.713 HG21 ' CA ' ' A' ' 45' ' ' LYS . 43.7 t -117.24 121.93 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 14.1 p -86.34 119.99 27.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.481 HG21 ' CE ' ' A' ' 48' ' ' MET . 3.2 p -88.27 154.06 20.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.679 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -52.6 -22.93 5.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.714 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.8 m -90.9 22.85 3.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.63 0.252 . . . . 0.0 111.413 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.54 62.8 2.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 111.285 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.88 ' ND1' HD22 ' A' ' 63' ' ' LEU . 93.3 m-70 -140.29 -175.77 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 41' ' ' HIS . 22.6 mm -133.1 141.82 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CD1' ' HE3' ' A' ' 48' ' ' MET . 33.0 m-85 -144.8 -177.82 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.853 ' SG ' HG22 ' A' ' 31' ' ' ILE . 4.3 m -99.63 25.76 6.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.713 ' CA ' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 68.97 -66.77 0.24 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.18 -29.3 65.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.454 ' SG ' HD11 ' A' ' 26' ' ' ILE . 84.5 m -57.88 -43.54 86.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.688 ' CE ' HD13 ' A' ' 68' ' ' ILE . 4.8 mmt -63.95 -33.07 74.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.58 -47.37 78.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -70.5 -34.53 72.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' ' 59' ' ' SER . 9.0 tp -63.3 -31.22 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 48' ' ' MET . 4.0 mt -78.97 -30.86 44.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -89.88 -21.47 22.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.169 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -67.88 0.22 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -98.72 24.62 7.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp 60.23 156.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.99 -156.64 12.99 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.586 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -51.77 151.99 14.13 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.557 2.171 . . . . 0.0 112.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.802 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -80.83 174.82 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' HD21 ' A' ' 51' ' ' LEU . 4.2 tt0 -128.93 113.75 15.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.4 t -59.34 110.22 2.54 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.45 -13.79 27.77 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.441 2.094 . . . . 0.0 112.755 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.88 HD22 ' ND1' ' A' ' 41' ' ' HIS . 6.7 mp -74.6 -32.84 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.156 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.0 p -142.47 24.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.198 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 50.77 30.93 5.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.379 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -79.32 -169.27 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.27 104.75 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.688 HD13 ' CE ' ' A' ' 48' ' ' MET . 9.2 mt -88.74 158.46 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.483 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -133.78 -176.92 4.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.4 167.87 11.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.02 29.91 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -124.66 -40.7 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.62 HD12 HG12 ' A' ' 35' ' ' VAL . 3.6 mm? -57.38 148.78 22.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -149.76 118.12 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.95 145.33 41.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.6 t -149.4 150.16 31.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.519 ' O ' HG22 ' A' ' 77' ' ' THR . 52.3 m -94.49 -0.64 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.258 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.787 ' CG ' HD11 ' B' ' 69' ' ' ILE . 6.2 ttm180 -51.61 -60.1 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.727 0.299 . . . . 0.0 111.183 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.534 ' HE1' HD22 ' B' ' 101' ' ' LEU . 0.1 OUTLIER -98.0 37.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.819 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.412 ' CA ' ' HG2' ' A' ' 34' ' ' PRO . 10.9 t -100.93 -63.02 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.638 ' HB2' HD21 ' B' ' 47' ' ' LEU . 32.6 mt-30 -56.53 -31.77 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.771 ' HG ' HD22 ' B' ' 47' ' ' LEU . 2.4 mt -63.68 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.802 HG22 HD12 ' A' ' 22' ' ' LEU . 22.6 t -80.85 -43.55 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.029 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.31 -44.39 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.26 -44.87 88.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.675 ' HA ' HD12 ' A' ' 89' ' ' ILE . 17.6 tp -57.44 -48.06 80.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.648 HD11 ' CD2' ' A' ' 30' ' ' LEU . 30.6 mt -53.75 -30.38 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -76.01 -31.74 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.725 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 86' ' ' LEU . 47.5 mt -66.25 -36.86 78.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.1 mt -72.28 -34.93 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.072 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.06 -49.94 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.639 ' HB1' ' CG ' ' B' ' 36' ' ' HIS . . . -59.75 -36.47 76.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.591 ' CZ ' HG21 ' A' ' 97' ' ' THR . 40.4 t80 -57.36 -50.49 72.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -66.19 -28.02 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -58.16 -39.58 79.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.486 ' HB3' HD11 ' A' ' 3' ' ' LEU . 4.9 m-20 -102.47 -59.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.687 HG22 HD13 ' A' ' 3' ' ' LEU . 12.6 p -59.17 -48.99 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.83 28.27 57.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.544 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 8' ' ' VAL . 9.8 mt -105.14 156.11 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -63.12 -174.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.461 ' CG ' HG21 ' A' ' 90' ' ' ILE . 15.7 t80 -131.66 -67.75 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.62 32.09 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.097 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.874 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 4.2 mmm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.84 0.352 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -151.01 85.46 5.1 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.19 -178.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.603 2.202 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -136.32 161.78 34.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.53 -67.54 1.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.52 120.05 20.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.56 71.61 2.76 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.558 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.946 ' HB1' HD23 ' A' ' 3' ' ' LEU . . . -100.17 168.18 9.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.578 ' CH2' HD22 ' A' ' 3' ' ' LEU . 21.2 m95 60.71 37.42 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.82 -51.93 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.639 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -59.79 -31.47 69.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.4 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 58.4 m -75.31 -31.43 60.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.608 ' HA ' HD13 ' B' ' 115' ' ' LEU . 13.3 ttp85 -60.26 -47.53 85.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.17 88.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.621 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -70.75 -37.04 73.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.754 HD22 HD12 ' B' ' 115' ' ' LEU . 46.3 tp -59.13 -45.96 89.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.7 -33.81 76.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -60.86 -32.52 71.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.437 ' O ' HD23 ' B' ' 48' ' ' LEU . 7.4 tt -74.68 -34.38 62.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.32 -24.4 66.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -54.3 -29.57 47.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.771 HD22 ' HG ' ' A' ' 82' ' ' LEU . 5.0 mp -92.8 -27.09 17.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.853 HD12 HD13 ' B' ' 105' ' ' ILE . 4.0 mm? -80.94 -31.25 35.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -56.92 127.63 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 0.713 ' HB2' HD23 ' B' ' 57' ' ' LEU . 38.2 t -59.94 151.54 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.449 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -76.82 -29.39 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -57.74 2.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.409 ' O ' ' CG2' ' B' ' 54' ' ' THR . 23.7 m -65.43 -15.94 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.337 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 10.2 t 44.75 52.07 8.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.953 0.406 . . . . 0.0 111.349 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -170.42 -175.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.778 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 38.2 mm -60.1 136.26 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.888 HD12 HD11 ' B' ' 105' ' ' ILE . 0.2 OUTLIER -115.84 161.11 19.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -132.06 114.13 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.682 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 1.2 tt0 60.47 53.76 3.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.703 ' HG3' HD13 ' B' ' 57' ' ' LEU . 53.6 Cg_endo -69.4 -168.19 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.633 2.222 . . . . 0.0 112.503 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.679 HG13 ' O ' ' B' ' 96' ' ' LYS . 15.2 t -135.0 141.73 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 22.2 p -84.26 122.32 28.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.435 HD22 ' CG2' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -59.98 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.55 -53.72 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.11 42.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 p -124.14 28.85 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 65.36 14.47 9.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.536 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.68 119.0 38.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.787 HD11 ' CG ' ' A' ' 78' ' ' ARG . 1.9 mp -128.95 144.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -149.54 170.52 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.733 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 11.1 m -65.62 -175.56 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.49 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.8 OUTLIER -96.4 23.72 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -149.06 20.91 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.185 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 5.0 m -134.0 -46.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 1.041 HG22 HD11 ' B' ' 79' ' ' ILE . 11.3 p -57.81 -28.36 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.279 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 29.2 t -63.49 80.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -150.97 -46.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 4.8 p -130.08 37.26 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 1.041 HD11 HG22 ' B' ' 75' ' ' VAL . 24.9 mm -77.83 141.46 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.24 -27.2 17.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.433 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.6 t -101.33 -31.19 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.99 140.3 7.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -55.29 115.81 10.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.558 0.218 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.1 -6.72 19.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.425 2.083 . . . . 0.0 112.565 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 23.1 t -98.69 -25.4 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 9.6 m -106.59 -24.38 12.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 65.87 42.73 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 78.8 m -133.33 142.14 43.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.03 145.91 39.85 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.513 2.142 . . . . 0.0 112.279 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.23 -27.25 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . 0.543 ' O ' HG23 ' B' ' 92' ' ' ILE . 0.3 OUTLIER 58.59 19.93 7.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.304 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.543 HG23 ' O ' ' B' ' 91' ' ' TRP . 1.7 pt -158.93 127.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -91.22 -33.21 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.72 172.98 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.87 83.73 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.814 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.679 ' O ' HG13 ' B' ' 61' ' ' VAL . 0.6 OUTLIER -63.04 -178.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.462 HG22 ' N ' ' B' ' 98' ' ' ASN . 26.6 mm -128.99 157.01 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . 0.462 ' N ' HG22 ' B' ' 97' ' ' ILE . 0.2 OUTLIER -107.26 94.11 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.796 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -69.55 -58.85 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -59.49 -46.05 89.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.763 ' CD1' HD13 ' B' ' 48' ' ' LEU . 0.2 OUTLIER -57.81 -49.12 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.811 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -62.5 -42.95 99.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.3 m -56.18 -32.16 64.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.696 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.859 ' CG ' HG21 ' A' ' 21' ' ' ILE . 11.3 mtp -74.2 -28.88 61.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.699 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.888 HD11 HD12 ' B' ' 57' ' ' LEU . 35.0 mm -59.01 -60.22 2.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -61.17 -37.1 81.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.956 HD12 ' HE2' ' A' ' 18' ' ' MET . 0.2 OUTLIER -58.79 -56.68 19.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 50.0 t -56.93 -30.92 64.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -59.3 -38.5 80.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.651 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.798 ' HE2' HD13 ' B' ' 107' ' ' LEU . 0.3 OUTLIER -65.43 -48.48 72.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.742 179.793 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.794 ' CD2' HG13 ' A' ' 11' ' ' VAL . 12.2 mt -59.68 -39.38 84.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -57.27 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -59.97 -31.26 69.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 10' ' ' GLU . 20.6 mt -71.65 -56.66 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.754 HD12 HD22 ' B' ' 41' ' ' LEU . 68.3 mt -60.03 -32.79 71.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -85.11 -74.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -174.93 137.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -143.34 115.11 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -131.99 103.29 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 1.3 tp -131.62 35.46 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 15.6 p -130.26 127.65 39.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.871 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 ttp . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.805 0.336 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -106.31 32.49 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.47 -169.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.491 ' HB2' HD23 ' A' ' 6' ' ' LEU . 9.7 m -64.08 -23.31 67.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.571 ' HA ' HG23 ' A' ' 8' ' ' VAL . . . 63.65 19.92 11.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.299 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.723 HD12 ' HB2' ' A' ' 7' ' ' ARG . 3.6 pp -71.64 -35.01 70.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.792 ' O ' HG23 ' A' ' 11' ' ' VAL . 14.2 mtt180 -164.81 48.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' A' ' 5' ' ' ALA . 22.6 t -75.58 -31.12 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.24 -36.1 63.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -67.76 -42.92 81.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 7' ' ' ARG . 28.1 t -63.67 -40.8 90.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' HG3' ' CE2' ' A' ' 93' ' ' PHE . 18.9 mt-30 -61.26 -31.55 71.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.01 -41.02 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.597 HG22 ' HE3' ' B' ' 110' ' ' LYS . 21.7 t -69.98 -41.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.679 HD11 HG12 ' A' ' 11' ' ' VAL . 13.8 mt -69.58 -32.55 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -75.89 -33.27 59.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.966 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -67.87 -53.26 28.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.682 ' HA ' HD12 ' A' ' 21' ' ' ILE . 12.1 ptp -56.58 -36.5 69.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.23 -38.57 87.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.745 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -60.57 -31.74 70.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.68 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 18' ' ' MET . 38.3 mt -65.25 -27.42 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.679 ' HB3' HG22 ' A' ' 83' ' ' VAL . 3.7 mm? -105.42 32.49 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.692 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -90.53 -170.0 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 15.2 t -113.02 138.44 22.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.821 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 24' ' ' CYS . 61.7 Cg_endo -93.45 15.14 1.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 123.018 2.479 . . . . 0.0 114.142 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.44 HG21 ' HE2' ' A' ' 43' ' ' PHE . 2.1 pp -141.02 -39.19 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.428 ' HB3' HD12 ' A' ' 26' ' ' ILE . 24.4 p -128.31 8.03 5.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.603 0.24 . . . . 0.0 111.64 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 52.57 28.25 5.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.646 0.26 . . . . 0.0 111.383 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 93.3 mt-10 -97.28 115.33 27.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.712 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.564 ' CD2' HD21 ' A' ' 87' ' ' LEU . 11.0 tp -38.5 98.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.05 0.453 . . . . 0.0 111.315 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.857 HG22 ' SG ' ' A' ' 44' ' ' CYS . 31.0 pt -50.75 136.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.585 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -113.06 -31.83 6.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -114.46 86.78 12.84 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HG2' ' N ' ' A' ' 80' ' ' SER . 52.8 Cg_exo -52.27 115.88 2.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.614 2.209 . . . . 0.0 112.39 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.664 HG21 ' HE3' ' A' ' 45' ' ' LYS . 13.7 p -129.53 119.2 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 p -78.02 126.16 30.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.756 HG22 HD23 ' A' ' 73' ' ' LEU . 8.2 p -92.31 162.69 14.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.488 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -48.53 -27.08 2.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.401 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 t -94.52 24.45 4.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 55.04 47.24 22.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.282 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.944 ' ND1' HD22 ' A' ' 63' ' ' LEU . 44.6 m-70 -124.98 153.69 42.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.9 mm -96.5 149.47 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.364 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' CD1' HG21 ' A' ' 37' ' ' THR . 15.6 m-85 -146.53 -177.26 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.683 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.857 ' SG ' HG22 ' A' ' 31' ' ' ILE . 4.5 m -99.85 20.44 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HE3' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 68.73 -66.35 0.24 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.828 0.347 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -27.68 63.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.1 m -55.35 -40.07 70.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.587 ' O ' HD12 ' A' ' 52' ' ' LEU . 9.6 mmt -66.14 -40.04 90.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 49' ' ' LEU . 8.4 mp -58.98 -43.62 91.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -85.04 -30.69 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' A' ' 59' ' ' SER . 8.2 tt -73.19 -38.47 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -57.26 -30.47 64.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.709 179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' LYS . 36.6 m-20 -88.97 -75.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.647 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.04 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' ASN . 6.6 mttt -177.03 -39.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.849 0.357 . . . . 0.0 110.795 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -165.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.92 -152.67 1.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.715 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.465 ' HB3' HG22 ' A' ' 69' ' ' THR . 99.5 Cg_exo -43.4 151.26 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.021 2.481 . . . . 0.0 112.758 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.762 ' HB3' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -75.68 157.86 33.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -143.94 138.64 28.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -55.43 108.81 1.29 Allowed Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.76 -4.77 15.97 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.436 2.09 . . . . 0.0 112.715 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.944 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.3 mp -85.24 -28.76 25.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.226 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.0 m -132.67 -82.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 pttp 170.49 41.55 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -96.27 -174.96 3.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -130.94 104.98 7.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.539 HD13 ' CE ' ' A' ' 48' ' ' MET . 2.9 mt -99.88 135.71 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.726 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.546 ' HA ' HD21 ' A' ' 52' ' ' LEU . 16.7 p -152.17 62.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.091 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt 60.46 155.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 53.52 25.25 4.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.2 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -115.09 -32.5 5.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.756 HD23 HG22 ' A' ' 37' ' ' THR . 4.1 mp -84.42 171.16 12.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.17 89.63 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.784 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 132.11 51.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.24 -175.9 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.4 m -115.96 77.11 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.447 ' CD ' HD11 ' B' ' 69' ' ' ILE . 16.6 ttp180 -118.83 -54.81 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.618 ' HA ' HD12 ' A' ' 82' ' ' LEU . 2.6 m-85 -99.04 32.11 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.797 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 34' ' ' PRO . 10.1 t -88.79 -61.51 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.563 ' HB2' HD11 ' B' ' 47' ' ' LEU . 44.6 mm-40 -59.62 -35.07 73.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 79' ' ' PHE . 54.4 mt -57.79 -35.03 70.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 22' ' ' LEU . 22.1 t -78.25 -54.8 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.66 -42.99 98.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -57.84 -44.57 86.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.738 HD12 HD11 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -53.46 -41.3 66.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' A' ' 30' ' ' LEU . 4.0 mm? -61.07 -35.68 77.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -69.8 -37.85 76.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.878 HG12 ' HB1' ' B' ' 40' ' ' ALA . 23.0 mt -70.16 -42.99 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.738 HD11 HD12 ' A' ' 86' ' ' LEU . 15.0 mt -68.77 -30.72 48.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.997 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.0 m -69.01 -36.86 78.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.85 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -66.42 -37.66 85.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 4.0 t80 -59.69 -55.95 27.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -28.96 67.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.76 -41.66 87.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.996 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -100.35 -68.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.781 ' HB ' HD23 ' A' ' 99' ' ' LEU . 10.3 p -60.31 -45.72 92.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.71 29.57 75.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.559 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.781 HD23 ' HB ' ' A' ' 97' ' ' THR . 4.2 mm? -84.28 -178.57 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.55 140.98 29.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.541 ' CD2' HG23 ' A' ' 90' ' ' ILE . 15.8 t80 -131.64 -63.68 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.48 -58.97 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 p30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.971 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.415 ' CB ' ' CD ' ' B' ' 28' ' ' PRO . 0.9 OUTLIER -178.21 -61.67 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' B' ' 27' ' ' GLU . 58.0 Cg_endo -71.45 126.77 12.52 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.444 2.096 . . . . 0.0 112.351 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -106.39 -37.19 6.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.07 -106.41 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.764 ' NH1' ' HB2' ' B' ' 35' ' ' ALA . 6.0 tmm_? -130.88 136.91 49.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.7 29.21 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.36 166.19 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.668 ' HB3' HD23 ' B' ' 115' ' ' LEU . 10.9 m95 61.32 30.21 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.764 ' HB2' ' NH1' ' B' ' 31' ' ' ARG . . . -79.16 -56.47 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.85 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.45 -30.68 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.446 ' OG ' HD21 ' B' ' 115' ' ' LEU . 41.3 t -67.53 -36.53 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.451 ' NH2' HD23 ' B' ' 41' ' ' LEU . 6.8 tpm_? -60.2 -58.04 10.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.23 68.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.878 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -68.7 -38.64 80.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.451 HD23 ' NH2' ' B' ' 38' ' ' ARG . 11.9 tp -59.26 -43.61 92.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.72 -39.94 90.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -59.56 -53.05 62.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.757 HD23 ' O ' ' B' ' 44' ' ' LEU . 4.4 tt -59.05 -36.58 75.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.47 -28.21 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -56.95 -31.19 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 81' ' ' GLN . 4.0 mm? -79.89 -30.28 40.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.518 HD12 ' CG1' ' B' ' 105' ' ' ILE . 3.4 mm? -87.44 -22.82 24.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 114.74 1.6 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 0.738 ' HB2' HD23 ' B' ' 57' ' ' LEU . 45.0 t -59.96 156.75 13.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.441 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 0.4 OUTLIER -82.64 -34.47 27.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -57.41 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.402 ' O ' ' CG2' ' B' ' 54' ' ' THR . 66.9 m -65.27 -15.55 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.277 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.2 t 44.68 41.41 4.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.914 0.388 . . . . 0.0 111.332 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -163.33 -173.94 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -62.16 128.09 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.751 HD13 ' CG ' ' B' ' 60' ' ' PRO . 0.3 OUTLIER -107.26 168.67 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.35 105.12 8.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.432 ' N ' ' HD3' ' B' ' 60' ' ' PRO . 9.9 tt0 56.89 63.63 5.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.003 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.751 ' CG ' HD13 ' B' ' 57' ' ' LEU . 26.6 Cg_exo -62.53 -161.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.585 2.19 . . . . 0.0 112.29 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.826 HG13 ' O ' ' B' ' 96' ' ' LYS . 36.5 t -149.65 137.39 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 75.3 m -61.46 161.32 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.799 HD23 ' CE1' ' B' ' 70' ' ' PHE . 0.3 OUTLIER -94.18 -65.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.28 -67.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -155.03 32.99 0.66 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.38 -146.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -117.9 -27.39 6.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.637 0.256 . . . . 0.0 111.308 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.431 ' CE1' HG11 ' B' ' 85' ' ' VAL . 32.7 m80 -56.05 127.0 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.376 . . . . 0.0 111.174 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.447 HD11 ' CD ' ' A' ' 78' ' ' ARG . 1.3 mp -127.7 155.05 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.799 ' CE1' HD23 ' B' ' 63' ' ' LEU . 0.3 OUTLIER -147.44 166.5 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 15.1 m -60.98 159.92 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -55.66 -26.08 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -112.73 22.52 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.3 m -124.49 -44.41 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.768 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 1.061 HG22 HD11 ' B' ' 79' ' ' ILE . 12.0 p -58.37 -30.82 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.5 p -63.12 80.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.67 -61.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 11.1 m -126.51 39.98 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.765 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 1.061 HD11 HG22 ' B' ' 75' ' ' VAL . 24.4 mm -74.25 -26.69 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.98 -27.3 50.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.9 m -115.7 -66.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . 0.514 ' HA2' ' HB2' ' B' ' 90' ' ' ALA . . . 178.69 -128.98 1.32 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.372 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.4 t -115.96 134.75 22.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.63 0.253 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.36 -21.02 9.28 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.592 2.195 . . . . 0.0 112.644 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' B' ' 68' ' ' HIS . 21.5 t -87.3 -68.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.332 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 55.5 m -71.23 -13.45 61.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.299 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 62.41 28.27 16.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.776 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -93.54 138.97 22.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.7 143.4 67.73 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.463 2.109 . . . . 0.0 112.224 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.514 ' HB2' ' HA2' ' B' ' 82' ' ' GLY . . . -65.77 85.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -59.17 -23.87 62.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.571 HD12 ' O ' ' B' ' 94' ' ' ASP . 1.4 pt -104.43 107.3 22.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.98 -31.5 68.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.571 ' O ' HD12 ' B' ' 92' ' ' ILE . 3.5 m-20 -115.11 -176.21 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.807 ' HB3' HG11 ' B' ' 61' ' ' VAL . 52.9 mt -97.97 89.89 4.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.826 ' O ' HG13 ' B' ' 61' ' ' VAL . 5.7 mtpp -77.14 137.59 38.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.642 HD13 HG22 ' B' ' 61' ' ' VAL . 28.3 mm -86.8 141.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.221 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -96.67 94.7 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -58.46 -30.49 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -75.87 -55.58 5.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' B' ' 101' ' ' LEU . 12.2 tp -60.53 -33.51 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.731 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' B' ' 105' ' ' ILE . 23.9 t0 -63.39 -53.48 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.636 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.9 m -61.61 -30.59 70.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.691 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.624 ' SD ' HD21 ' A' ' 22' ' ' LEU . 1.4 mtp -59.4 -38.6 80.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.691 HG21 ' O ' ' B' ' 57' ' ' LEU . 6.9 mt -66.46 -50.84 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -60.28 -31.74 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.966 HD11 ' HB3' ' A' ' 17' ' ' ALA . 1.3 mm? -63.78 -53.13 55.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.674 ' SG ' HD22 ' B' ' 44' ' ' LEU . 32.8 m -59.52 -31.36 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 32.5 t -63.97 -35.17 79.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.774 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.597 ' HE3' HG22 ' A' ' 14' ' ' VAL . 50.3 mtmt -64.72 -46.82 80.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.663 ' HA ' HD12 ' B' ' 114' ' ' LEU . 14.0 mt -59.0 -35.72 73.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -60.03 -41.82 93.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -69.58 -42.11 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' B' ' 111' ' ' LEU . 4.8 mt -66.1 -41.29 90.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' B' ' 34' ' ' TRP . 6.5 mt -62.11 -31.22 71.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -134.64 110.53 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -128.64 171.27 12.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -107.03 -170.07 1.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -129.21 33.48 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.34 156.09 20.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 1.4 t -157.89 128.19 6.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.922 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.777 0.323 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -103.01 36.54 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.602 ' HA ' HD21 ' A' ' 6' ' ' LEU . 65.0 tp -60.59 86.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 t -175.87 37.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.67 -40.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.602 HD21 ' HA ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -67.78 74.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HD3' HD23 ' B' ' 114' ' ' LEU . 10.3 ttm-85 59.87 76.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.524 HG12 ' HZ ' ' A' ' 93' ' ' PHE . 21.6 t -122.12 -42.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -64.76 -31.39 72.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.79 -48.26 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.774 HG12 HD11 ' A' ' 15' ' ' ILE . 21.6 t -59.74 -32.53 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -47.95 83.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.51 -31.74 70.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.555 HG11 ' HG ' ' B' ' 111' ' ' LEU . 31.1 t -70.79 -58.42 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.774 HD11 HG12 ' A' ' 11' ' ' VAL . 5.1 mt -58.61 -31.45 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -71.55 -48.56 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.842 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -60.24 -33.83 72.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.8 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.765 ' HB3' HD21 ' A' ' 86' ' ' LEU . 6.4 ttm -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.778 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.91 -40.33 88.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.77 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -59.72 -32.63 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 18' ' ' MET . 38.7 mt -67.53 -31.99 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.833 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.875 ' HB3' HG22 ' A' ' 83' ' ' VAL . 3.2 mm? -107.41 30.24 6.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.578 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.09 -166.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.047 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 14.2 t -112.92 138.69 22.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.942 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 24' ' ' CYS . 63.0 Cg_endo -93.3 16.15 1.3 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.882 2.388 . . . . 0.0 114.076 -178.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.491 HG21 ' HE2' ' A' ' 43' ' ' PHE . 2.1 pp -142.98 -39.26 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.425 ' HB3' HD12 ' A' ' 26' ' ' ILE . 24.3 p -128.21 9.05 6.14 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.3 mm? 51.08 29.05 4.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.652 0.263 . . . . 0.0 111.391 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 26.9 mm-40 -96.19 118.62 33.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.818 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.563 ' CD2' HD21 ' A' ' 87' ' ' LEU . 11.9 tp -39.14 98.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.004 0.43 . . . . 0.0 111.303 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.839 HG22 ' SG ' ' A' ' 44' ' ' CYS . 1.2 pp -51.93 113.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.825 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -89.35 -43.42 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -101.62 90.87 1.96 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.528 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HG3' ' CA ' ' A' ' 80' ' ' SER . 27.8 Cg_endo -62.6 113.05 1.79 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.533 2.155 . . . . 0.0 112.564 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 36' ' ' SER . 11.2 p -127.47 159.02 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.64 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.479 ' N ' HG22 ' A' ' 35' ' ' VAL . 15.6 p -110.39 127.78 55.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.093 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.559 HG21 ' CD1' ' A' ' 43' ' ' PHE . 19.7 p -92.31 158.09 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HZ3' ' HG2' ' A' ' 38' ' ' LYS . 8.6 tptm -52.42 -23.12 5.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.654 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.2 t -91.0 24.23 2.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 111.342 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 54.7 40.89 32.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.774 0.321 . . . . 0.0 111.037 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.944 ' ND1' HD22 ' A' ' 63' ' ' LEU . 45.7 m-70 -122.98 -179.71 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.2 mm -120.64 147.54 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.492 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.559 ' CD1' HG21 ' A' ' 37' ' ' THR . 28.7 m-85 -146.47 -177.45 5.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.65 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.839 ' SG ' HG22 ' A' ' 31' ' ' ILE . 6.7 m -100.05 24.87 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.043 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tpmp? 68.82 -66.23 0.25 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' HA ' HD13 ' A' ' 49' ' ' LEU . 1.5 t80 -58.75 -29.91 67.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.8 m -57.63 -33.96 68.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.686 ' SD ' HD11 ' A' ' 73' ' ' LEU . 5.9 mmt -67.47 -39.57 85.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 46' ' ' PHE . 5.6 mp -60.49 -53.95 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HE3' ' CE2' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -60.99 -44.91 96.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.543 HD23 ' CB ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -68.73 -31.51 70.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 70' ' ' LYS . 11.3 mt -73.77 -49.34 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -62.91 -41.13 99.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -60.23 148.31 36.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? 61.69 153.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 106.78 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.69 -179.0 17.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.593 ' HB3' HG23 ' A' ' 69' ' ' THR . 74.6 Cg_exo -50.17 176.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.593 2.195 . . . . 0.0 112.463 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.543 ' CB ' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -88.98 158.98 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -114.31 114.26 25.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.585 ' HB2' HD11 ' A' ' 68' ' ' ILE . 53.7 t -56.16 109.28 1.56 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.02 -7.82 22.26 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.492 2.128 . . . . 0.0 112.713 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.944 HD22 ' ND1' ' A' ' 41' ' ' HIS . 2.8 mp -84.55 -28.46 26.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.697 0.284 . . . . 0.0 111.212 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 19.8 m -145.87 25.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt 50.38 27.31 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.222 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -167.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -135.72 108.02 7.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 61' ' ' CYS . 1.9 mp -95.61 157.87 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -136.46 145.61 45.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.682 ' HB3' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.76 83.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -179.84 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.539 ' C ' HD22 ' A' ' 73' ' ' LEU . 1.9 m -96.3 37.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.686 HD11 ' SD ' ' A' ' 48' ' ' MET . 3.7 mm? -113.48 110.99 21.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -119.04 113.47 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -62.93 101.17 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.3 m -95.56 124.7 39.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 77' ' ' THR . 94.8 m -83.65 58.22 4.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.8 ' HB2' HD11 ' B' ' 69' ' ' ILE . 6.9 ptt-85 -112.0 -30.64 7.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 m-85 -106.82 28.66 7.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.41 ' CA ' ' HG3' ' A' ' 34' ' ' PRO . 10.0 t -89.22 -62.46 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.484 ' CB ' HD21 ' B' ' 47' ' ' LEU . 22.5 mm-40 -58.05 -31.23 66.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.789 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.68 HD21 ' CB ' ' B' ' 47' ' ' LEU . 80.2 mt -59.96 -56.49 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.875 HG22 ' HB3' ' A' ' 22' ' ' LEU . 20.3 t -59.39 -52.02 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -60.9 -35.54 76.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.65 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.42 -43.18 88.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 18' ' ' MET . 0.7 OUTLIER -57.47 -44.08 84.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.574 179.754 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 30' ' ' LEU . 3.4 mm? -57.84 -30.11 65.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -84.03 -44.2 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.9 mt -63.15 -38.36 81.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.737 HD11 HD12 ' A' ' 86' ' ' LEU . 8.2 mt -72.86 -40.51 60.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.024 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.6 -42.51 96.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.58 ' HB1' ' CG ' ' B' ' 36' ' ' HIS . . . -62.08 -39.2 91.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CE1' HG21 ' A' ' 97' ' ' THR . 65.1 t80 -59.45 -51.82 68.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.89 -30.04 69.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.988 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 92' ' ' ALA . 15.1 mt -59.16 -31.67 69.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.565 ' HB3' HD23 ' A' ' 3' ' ' LEU . 3.9 m-20 -110.13 -68.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.693 ' HB ' HD13 ' A' ' 99' ' ' LEU . 17.4 p -60.23 -40.23 89.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.18 28.16 73.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.693 HD13 ' HB ' ' A' ' 97' ' ' THR . 6.7 mp -92.86 163.27 13.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.17 166.79 9.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.41 ' CZ ' HG12 ' A' ' 90' ' ' ILE . 29.6 t80 -124.82 -67.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -173.02 123.39 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.911 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.781 0.324 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.403 ' CB ' ' CD ' ' B' ' 28' ' ' PRO . 0.3 OUTLIER -69.39 -60.75 3.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' B' ' 27' ' ' GLU . 59.4 Cg_endo -72.25 178.13 6.43 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.524 2.149 . . . . 0.0 112.311 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -134.76 156.24 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.43 44.37 2.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 60.38 169.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.92 54.97 0.59 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -164.75 168.5 17.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.69 ' HB3' HD23 ' B' ' 115' ' ' LEU . 20.5 m95 60.57 36.19 19.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.64 -55.93 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.58 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.08 -30.82 69.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.978 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.456 ' OG ' HD21 ' B' ' 115' ' ' LEU . 32.5 t -67.73 -39.67 84.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ttm105 -62.16 -34.42 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.55 -55.41 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.8 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' B' ' 115' ' ' LEU . 40.2 tp -59.77 -56.01 27.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.62 -33.99 72.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 61.3 mtt-85 -59.21 -40.8 86.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.546 HD13 ' SD ' ' A' ' 18' ' ' MET . 7.8 tt -72.04 -31.2 65.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -62.81 -28.44 70.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.02 -30.48 59.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.05 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.68 ' CB ' HD21 ' A' ' 82' ' ' LEU . 3.3 mm? -79.98 -29.98 39.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.754 HD12 ' CD1' ' B' ' 105' ' ' ILE . 3.9 mm? -80.32 -28.45 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.8 121.11 8.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 0.823 ' HB2' HD23 ' B' ' 57' ' ' LEU . 47.0 t -65.51 156.87 31.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.42 ' HB2' ' CE2' ' B' ' 70' ' ' PHE . 1.4 m -77.5 -34.14 54.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.79 -57.48 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.416 ' O ' ' CG2' ' B' ' 54' ' ' THR . 8.6 m -60.57 -19.1 56.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.7 t 45.03 54.32 7.03 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.987 0.422 . . . . 0.0 111.392 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -177.96 -173.53 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.681 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.496 ' CG2' HG23 ' B' ' 105' ' ' ILE . 38.4 mm -58.58 143.83 12.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' B' ' 50' ' ' CYS . 0.2 OUTLIER -123.8 152.95 41.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.04 124.55 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.657 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.427 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 5.0 tt0 54.07 52.51 9.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.665 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.759 ' HG3' HD13 ' B' ' 57' ' ' LEU . 72.9 Cg_endo -75.78 -178.92 4.67 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.653 2.236 . . . . 0.0 112.603 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.791 HG13 ' O ' ' B' ' 96' ' ' LYS . 28.3 t -131.01 145.58 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.792 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 14.9 m -57.97 -97.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.743 HD21 HG23 ' B' ' 79' ' ' ILE . 0.6 OUTLIER 75.53 -53.5 0.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.91 0.386 . . . . 0.0 111.018 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.41 71.08 1.57 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.65 -36.89 40.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.307 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.93 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.524 0.202 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -157.24 23.67 0.3 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.68 0.276 . . . . 0.0 111.006 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.429 ' CE1' ' HB ' ' B' ' 85' ' ' VAL . 14.5 m170 -116.63 158.94 22.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 111.104 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 78' ' ' ARG . 4.8 mt -148.11 147.95 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.806 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' B' ' 51' ' ' SER . 1.7 m-85 -143.35 175.99 9.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 11.8 m -74.33 -177.05 2.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.644 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.3 OUTLIER -72.24 -38.12 68.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.6 19.11 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.244 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.82 -51.88 4.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.988 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.797 HG23 HD11 ' B' ' 79' ' ' ILE . 27.5 m -81.83 -27.65 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.356 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 69.0 m -46.87 -28.19 1.5 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.367 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -55.34 -27.27 46.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.21 82.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.797 HD11 HG23 ' B' ' 75' ' ' VAL . 33.1 mm -76.61 -34.35 23.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.47 -24.8 25.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.39 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 75.7 m -83.36 -75.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.715 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.97 -113.54 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.399 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 49.8 t -108.08 134.43 20.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.553 0.216 . . . . 0.0 110.839 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -78.45 -12.24 15.51 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.55 2.166 . . . . 0.0 112.926 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.429 ' HB ' ' CE1' ' B' ' 68' ' ' HIS . 19.8 t -107.78 -67.71 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.891 0.377 . . . . 0.0 111.363 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 87.6 m -64.77 -15.33 61.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.238 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 64.86 19.79 11.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.474 HG23 ' HD2' ' B' ' 89' ' ' PRO . 90.2 m -83.61 139.66 41.03 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.739 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' B' ' 88' ' ' THR . 45.5 Cg_endo -68.48 144.89 62.85 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.457 2.104 . . . . 0.0 112.183 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.49 97.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -23.1 50.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.626 HD12 ' O ' ' B' ' 94' ' ' ASP . 2.1 pt -108.78 110.09 30.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.1 -31.71 69.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.626 ' O ' HD12 ' B' ' 92' ' ' ILE . 0.5 OUTLIER -104.84 -170.61 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.721 ' HG ' HG21 ' B' ' 61' ' ' VAL . 1.9 tp -105.8 86.22 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.791 ' O ' HG13 ' B' ' 61' ' ' VAL . 0.4 OUTLIER -71.21 171.82 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.452 HD13 ' O ' ' B' ' 96' ' ' LYS . 25.8 mm -129.95 139.09 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -93.88 83.35 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.766 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.07 -30.46 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.436 HE21 HG23 ' A' ' 21' ' ' ILE . 18.0 mm100 -74.61 -51.94 13.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.486 HD13 ' CE1' ' A' ' 79' ' ' PHE . 8.6 tp -59.56 -34.34 72.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.99 -44.42 96.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.733 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 15.9 t -58.15 -32.8 68.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.651 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.602 ' HB2' HD11 ' B' ' 48' ' ' LEU . 6.7 mtp -67.88 -33.37 74.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.702 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.754 ' CD1' HD12 ' B' ' 48' ' ' LEU . 20.6 mm -60.17 -48.45 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.764 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -31.12 61.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.842 HD11 ' HB3' ' A' ' 17' ' ' ALA . 1.7 mm? -70.93 -51.6 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.465 ' SG ' HD22 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -59.74 -32.16 70.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 6.2 t -69.37 -31.46 69.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.52 ' HE3' HG13 ' A' ' 14' ' ' VAL . 10.0 mtpp -63.93 -46.75 83.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.555 ' HG ' HG11 ' A' ' 14' ' ' VAL . 29.6 mt -59.2 -41.96 89.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.28 -41.12 92.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -72.15 -41.82 66.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.497 ' CD1' HG21 ' A' ' 14' ' ' VAL . 21.4 mt -65.3 -33.6 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' B' ' 34' ' ' TRP . 6.0 mt -77.26 -34.42 55.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.26 -74.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.46 170.13 15.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -106.55 -41.43 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.94 89.69 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 10.1 tp -80.91 127.71 32.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 1.9 m -147.78 -59.21 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.885 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.834 0.35 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.61 31.36 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.607 HD23 ' CZ2' ' B' ' 34' ' ' TRP . 0.9 OUTLIER 58.14 30.67 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.658 ' HB2' HD23 ' A' ' 6' ' ' LEU . 7.6 m 61.56 17.86 8.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.243 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.58 22.29 5.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.473 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' A' ' 4' ' ' SER . 2.7 pp -82.19 106.4 14.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 48.76 28.98 2.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.289 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.654 HG12 HD22 ' A' ' 99' ' ' LEU . 21.6 t -82.21 -30.61 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.121 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -31.55 64.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.734 ' HB3' HD21 ' B' ' 114' ' ' LEU . 3.3 mp0 -64.27 -42.5 96.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.865 HG12 HD11 ' A' ' 15' ' ' ILE . 21.5 t -60.74 -38.4 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -59.68 -40.08 86.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.21 -40.83 91.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.603 ' O ' HD12 ' B' ' 107' ' ' LEU . 23.6 t -70.39 -41.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.865 HD11 HG12 ' A' ' 11' ' ' VAL . 10.5 mt -67.59 -31.9 54.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -70.86 -52.57 19.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.915 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.82 -39.19 80.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.979 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.584 ' HA ' HD12 ' A' ' 21' ' ' ILE . 11.9 ttm -58.37 -42.87 87.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.419 ' N ' HD21 ' A' ' 86' ' ' LEU . 11.2 tt0 -63.36 -36.64 84.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -60.17 -40.72 90.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 18' ' ' MET . 19.3 mt -63.52 -29.79 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.872 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.883 ' HB3' HG22 ' A' ' 83' ' ' VAL . 4.2 mt -110.44 30.39 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.592 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -92.59 -165.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.048 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.463 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 11.3 t -111.37 138.49 21.38 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -93.04 12.94 1.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.909 2.406 . . . . 0.0 114.044 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.784 HD11 ' SG ' ' A' ' 47' ' ' CYS . 2.0 pp -141.4 -53.64 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.671 ' N ' HD12 ' A' ' 26' ' ' ILE . 26.7 p -105.16 -1.66 25.2 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 57.5 33.05 22.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.473 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 14.6 mm-40 -109.66 126.38 53.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.621 0.248 . . . . 0.0 110.727 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.675 HD23 HD11 ' A' ' 87' ' ' LEU . 11.4 tp -40.05 98.03 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.027 0.441 . . . . 0.0 111.248 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.835 HG22 ' SG ' ' A' ' 44' ' ' CYS . 37.5 pt -47.8 137.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.778 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.87 -38.13 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.623 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.721 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.6 tp10 -114.09 81.25 6.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.551 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HG2' ' N ' ' A' ' 80' ' ' SER . 71.7 Cg_exo -48.14 101.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.695 2.263 . . . . 0.0 112.732 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 33' ' ' GLU . 40.9 t -105.1 120.85 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.762 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 3.4 t -89.06 108.4 19.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.12 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.453 HG22 ' HE2' ' A' ' 48' ' ' MET . 63.6 p -78.88 162.72 25.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -47.12 -28.15 1.67 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.931 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.6 m -91.43 21.21 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 111.421 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 t70 56.2 54.65 7.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.824 0.345 . . . . 0.0 111.307 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.968 ' ND1' HD22 ' A' ' 63' ' ' LEU . 92.5 m-70 -126.8 142.15 51.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.458 HD11 ' NH2' ' A' ' 78' ' ' ARG . 38.5 mm -91.58 129.83 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.333 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -128.19 -176.62 3.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.835 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.6 m -104.17 23.78 12.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.943 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.699 ' HA ' HG21 ' A' ' 35' ' ' VAL . 6.1 tptm 69.3 -65.58 0.29 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.094 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.745 ' HA ' HD13 ' A' ' 49' ' ' LEU . 15.6 t80 -58.19 -28.69 65.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.784 ' SG ' HD11 ' A' ' 26' ' ' ILE . 57.7 m -56.92 -39.81 75.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.058 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.453 ' HE2' HG22 ' A' ' 37' ' ' THR . 39.8 mmm -67.42 -33.2 74.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 46' ' ' PHE . 3.9 mp -63.89 -53.77 45.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.709 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -66.85 -37.52 84.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.757 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 tp -60.98 -37.25 81.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 70' ' ' LYS . 18.7 mt -80.08 -31.27 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.776 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -60.41 -53.43 57.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -75.9 63.88 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.78 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 tptt 179.57 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.968 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 66.88 19.55 10.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.079 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.24 -163.64 13.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.518 ' HB3' HG22 ' A' ' 69' ' ' THR . 53.7 Cg_exo -52.05 130.51 35.24 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.48 2.12 . . . . 0.0 112.283 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.435 ' OG ' HD21 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -57.77 170.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.22 103.26 5.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.408 ' N ' ' HA ' ' A' ' 66' ' ' ASN . 13.1 t -47.2 108.99 0.96 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.441 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.9 -3.92 14.49 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.369 2.046 . . . . 0.0 112.407 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.968 HD22 ' ND1' ' A' ' 41' ' ' HIS . 1.8 mp -83.28 -34.81 25.68 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.089 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.6 p -116.74 -54.87 2.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.984 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 pttp 172.63 -35.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.031 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.408 ' HA ' ' N ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER 166.96 137.5 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.4 41.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.941 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.4 mt -144.27 153.6 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.077 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 58' ' ' PRO . 14.5 p -127.58 -178.42 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.446 ' HA ' HD13 ' A' ' 52' ' ' LEU . 15.3 mmtp -60.1 -32.2 70.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -135.91 91.51 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 m -163.56 31.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 mt -91.48 172.01 8.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -135.08 85.96 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.25 103.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.57 -175.98 4.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.721 HG23 ' OG ' ' A' ' 80' ' ' SER . 78.5 m -151.9 79.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.601 ' CB ' HD11 ' B' ' 69' ' ' ILE . 26.7 ptt180 -117.89 -43.65 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.894 ' O ' HG23 ' A' ' 83' ' ' VAL . 5.3 m-85 -86.04 -11.28 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.372 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.721 ' OG ' HG23 ' A' ' 77' ' ' THR . 0.8 OUTLIER -54.97 -51.4 66.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.831 0.348 . . . . 0.0 111.046 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.667 ' HB2' HD22 ' B' ' 47' ' ' LEU . 31.3 mt-30 -65.46 -31.42 72.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.863 HD22 ' SD ' ' B' ' 104' ' ' MET . 2.2 mt -73.98 -32.75 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 79' ' ' PHE . 40.0 t -77.01 -39.03 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -73.66 -47.74 37.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -58.11 -40.68 81.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.472 HD12 HD12 ' A' ' 89' ' ' ILE . 15.0 tp -58.5 -45.42 88.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.757 ' HA ' HD12 ' A' ' 90' ' ' ILE . 15.0 mt -55.97 -32.68 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.729 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -72.22 -34.15 68.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.706 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.787 HG12 ' HB1' ' B' ' 40' ' ' ALA . 56.2 mt -67.29 -36.6 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.7 mt -71.21 -43.13 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 89.7 m -60.11 -44.62 94.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.484 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -60.39 -34.84 74.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.65 -53.73 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.57 -29.81 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.96 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -44.78 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -95.71 -68.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.69 ' HB ' HD13 ' A' ' 99' ' ' LEU . 14.3 p -61.99 -55.87 24.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.72 27.28 32.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.545 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.69 HD13 ' HB ' ' A' ' 97' ' ' THR . 9.8 mp -87.54 162.46 17.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.17 160.5 29.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.611 ' CD2' HG21 ' A' ' 90' ' ' ILE . 29.2 t80 -131.3 164.74 24.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.33 148.88 24.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.87 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 28.7 mmm . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.793 0.33 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 60.23 87.19 0.14 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.97 -28.47 24.2 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.647 2.231 . . . . 0.0 112.252 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -164.78 -51.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.04 -28.57 2.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 60.62 158.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.824 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.38 157.52 20.71 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.92 -179.67 4.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.607 ' CZ2' HD23 ' A' ' 3' ' ' LEU . 17.7 m95 60.13 31.63 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.86 -64.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.484 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -61.31 -31.05 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.475 ' HB3' HD21 ' B' ' 115' ' ' LEU . 0.3 OUTLIER -63.58 -31.42 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.51 ' N ' HD21 ' B' ' 115' ' ' LEU . 9.2 ttt180 -72.36 -41.66 66.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.52 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.787 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -74.71 -38.15 62.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.646 HD13 HD23 ' B' ' 111' ' ' LEU . 32.2 tp -59.96 -53.13 61.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.04 -32.96 71.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -60.28 -33.54 72.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.94 -34.56 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.93 -36.53 74.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -27.02 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.667 HD22 ' HB2' ' A' ' 81' ' ' GLN . 9.3 mt -84.89 -23.57 28.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.843 HD13 HD13 ' B' ' 105' ' ' ILE . 30.3 mt -96.32 -24.96 15.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.223 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.89 120.75 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 111.023 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 40.8 t -57.8 156.31 8.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.424 ' HB3' ' CE2' ' B' ' 70' ' ' PHE . 9.4 t -82.78 -31.41 28.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -100.67 -60.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 70.7 m -61.14 -19.15 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.194 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 10.2 t 44.8 52.05 8.13 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.966 0.413 . . . . 0.0 111.366 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -156.17 -176.17 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.55 ' CG2' HG23 ' B' ' 105' ' ' ILE . 36.0 mm -64.54 123.94 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' B' ' 60' ' ' PRO . 12.2 mt -59.19 152.05 21.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -154.73 100.95 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.0 tt0 55.71 52.19 7.3 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.665 ' HB3' HD22 ' B' ' 57' ' ' LEU . 65.7 Cg_endo -73.89 -173.82 1.52 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.613 2.209 . . . . 0.0 112.657 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.815 HG13 ' O ' ' B' ' 96' ' ' LYS . 22.1 t -137.66 146.29 27.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.038 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.482 ' O ' HD13 ' B' ' 92' ' ' ILE . 8.4 t -85.17 114.03 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.812 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.731 HD23 HD13 ' B' ' 79' ' ' ILE . 0.4 OUTLIER -57.18 -54.8 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -108.77 0.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.538 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.6 34.48 1.7 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 2.7 p -117.02 30.28 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 65.59 14.07 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.435 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 123.34 33.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 110.798 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.601 HD11 ' CB ' ' A' ' 78' ' ' ARG . 8.4 mt -140.66 128.73 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.453 ' HB2' HG13 ' B' ' 75' ' ' VAL . 3.3 m-85 -148.25 173.6 12.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 20.8 m -59.33 -176.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.603 ' HA ' HG23 ' B' ' 61' ' ' VAL . 21.8 p -94.69 26.1 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -148.9 20.02 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.192 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 m -116.12 -64.79 1.26 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.669 HG23 HG13 ' B' ' 79' ' ' ILE . 32.7 m -61.37 -23.55 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.581 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.9 t -46.24 -25.34 0.6 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.812 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -87.81 22.84 2.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.706 0.288 . . . . 0.0 111.297 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.91 38.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.988 0.423 . . . . 0.0 110.34 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.731 HD13 HD23 ' B' ' 63' ' ' LEU . 1.5 mm -120.47 157.09 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.861 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . 0.412 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 84.72 25.77 40.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.173 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.4 m -162.2 -44.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.81 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.34 138.03 3.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.414 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.71 114.27 28.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.622 0.248 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.01 -1.25 11.43 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.445 2.097 . . . . 0.0 112.641 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.34 -28.34 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.798 0.332 . . . . 0.0 111.195 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 57.3 m -106.18 -19.24 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 67.07 49.7 1.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 73.7 m -140.1 140.04 22.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.11 162.77 3.79 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.421 2.081 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.0 84.6 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.81 -25.92 61.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.212 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.482 HD13 ' O ' ' B' ' 62' ' ' CYS . 0.9 OUTLIER -79.56 85.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -59.57 -31.36 69.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -115.79 157.24 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.598 HD12 HG21 ' B' ' 61' ' ' VAL . 4.3 mm? -67.5 75.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.815 ' O ' HG13 ' B' ' 61' ' ' VAL . 32.7 mttt -60.86 175.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.469 HD13 ' O ' ' B' ' 96' ' ' LYS . 25.0 mm -130.73 139.26 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.203 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.18 94.82 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.784 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -58.93 -30.85 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.462 ' NE2' HG23 ' A' ' 21' ' ' ILE . 3.7 mm-40 -72.46 -47.38 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.52 HD12 HD13 ' B' ' 57' ' ' LEU . 2.7 mm? -61.06 -46.79 89.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.644 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -60.76 -46.37 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.442 ' O ' HD23 ' B' ' 107' ' ' LEU . 6.8 t -59.92 -34.28 73.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.863 ' SD ' HD22 ' A' ' 82' ' ' LEU . 1.4 mtp -62.72 -32.4 73.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.644 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.843 HD13 HD13 ' B' ' 48' ' ' LEU . 27.2 mm -65.28 -51.42 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -64.08 -31.21 72.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.915 HD11 ' HB3' ' A' ' 17' ' ' ALA . 2.2 mm? -65.54 -51.95 56.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.513 ' SG ' HD11 ' B' ' 41' ' ' LEU . 51.9 t -61.87 -30.02 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 31.0 t -59.15 -47.01 86.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.693 ' O ' HD13 ' B' ' 114' ' ' LEU . 9.0 mtmt -59.94 -49.78 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.679 HD11 HG13 ' A' ' 11' ' ' VAL . 3.6 tp -57.6 -36.34 71.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -65.96 -45.8 80.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -70.74 -39.26 73.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.734 HD21 ' HB3' ' A' ' 10' ' ' GLU . 9.2 mp -60.09 -43.8 95.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.51 HD21 ' N ' ' B' ' 38' ' ' ARG . 2.5 mp -61.01 -38.12 84.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -60.01 -72.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 t0 60.22 35.63 20.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 60.32 -178.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -147.03 35.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 8.0 tt -171.45 140.51 1.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 73.2 p -141.83 80.11 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.146 -0.931 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.794 0.33 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -158.73 30.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.628 HD22 HG23 ' A' ' 97' ' ' THR . 0.3 OUTLIER 56.92 28.04 14.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.443 ' HB2' HD23 ' A' ' 6' ' ' LEU . 0.6 OUTLIER 62.55 15.66 8.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.292 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 54.18 21.33 3.0 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' B' ' 33' ' ' ALA . 1.9 pp -74.05 99.61 3.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.896 0.379 . . . . 0.0 110.285 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' GLU . 19.4 mtt180 63.7 -84.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.327 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.7 t 61.09 -73.83 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.511 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ARG . 2.7 pt-20 -46.49 -29.8 1.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.323 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.6 ' HB3' HD21 ' B' ' 114' ' ' LEU . 3.3 mp0 -65.5 -58.32 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.746 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.604 HG21 ' CZ3' ' B' ' 34' ' ' TRP . 23.8 t -58.36 -41.22 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -43.38 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -59.99 -35.95 76.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.76 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.013 HG13 HD23 ' B' ' 107' ' ' LEU . 38.0 t -66.89 -28.41 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.433 HG22 ' CE1' ' A' ' 101' ' ' TYR . 13.2 mm -72.41 -31.28 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.007 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -74.43 -50.34 18.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.755 ' HB1' HD11 ' B' ' 107' ' ' LEU . . . -58.78 -42.74 89.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.786 ' HG2' HD21 ' A' ' 86' ' ' LEU . 2.1 tpp -64.45 -43.26 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -64.25 -40.64 96.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.018 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -55.96 -28.38 56.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 18' ' ' MET . 27.3 mt -67.55 -29.24 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.776 HD23 HG22 ' A' ' 83' ' ' VAL . 10.5 mp -115.25 28.2 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.65 -168.29 2.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.756 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 10.2 t -115.03 134.45 22.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -93.12 10.37 2.24 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.883 2.389 . . . . 0.0 114.114 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 27' ' ' CYS . 2.2 pp -132.47 -38.86 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.34 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.507 ' HB3' HD12 ' A' ' 26' ' ' ILE . 28.3 p -128.09 4.47 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.594 0.235 . . . . 0.0 111.633 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.4 mm? 53.79 31.03 12.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.515 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -102.2 120.78 41.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.836 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.725 ' CD2' HD21 ' A' ' 87' ' ' LEU . 12.1 tp -37.82 101.56 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.29 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.844 HG22 ' SG ' ' A' ' 44' ' ' CYS . 1.1 pp -53.84 108.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.904 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.61 -37.25 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.489 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.7 mt-10 -111.72 94.19 22.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.466 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 33' ' ' GLU . 23.4 Cg_endo -61.72 111.2 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.439 2.092 . . . . 0.0 112.31 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.718 HG11 HD12 ' A' ' 73' ' ' LEU . 27.0 t -117.42 123.23 71.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.993 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 p -87.79 104.07 16.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.4 p -70.38 162.55 28.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HG3' ' CH2' ' B' ' 91' ' ' TRP . 7.5 ttpt -47.45 -26.38 1.34 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.699 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.7 t -91.55 23.63 3.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.399 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.2 t70 55.11 36.78 27.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.363 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.933 ' ND1' HD22 ' A' ' 63' ' ' LEU . 37.8 m-70 -114.07 149.43 35.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.028 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mm -88.6 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.283 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -151.44 -177.28 5.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.776 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.844 ' SG ' HG22 ' A' ' 31' ' ' ILE . 6.7 m -100.7 22.95 11.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.64 ' CA ' HG21 ' A' ' 35' ' ' VAL . 4.9 tttm 68.01 -67.9 0.18 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.6 -26.7 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.442 ' SG ' HD11 ' A' ' 26' ' ' ILE . 75.7 m -54.46 -29.12 48.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.067 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.714 ' SD ' HD22 ' A' ' 73' ' ' LEU . 5.3 mmt -69.12 -38.03 78.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.5 mp -61.95 -42.56 99.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -74.22 -33.22 63.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' A' ' 59' ' ' SER . 5.8 tp -75.31 -52.57 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.88 -31.35 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -82.22 -32.59 29.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -62.24 121.35 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm 60.13 -177.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.19 161.63 14.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.28 -176.86 52.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.578 ' HB3' HG22 ' A' ' 69' ' ' THR . 59.0 Cg_exo -51.64 -178.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.633 2.222 . . . . 0.0 112.3 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.536 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -82.83 -31.42 28.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 62.2 117.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.496 ' CB ' HD11 ' A' ' 68' ' ' ILE . 9.5 t -68.58 114.81 24.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.518 ' HD3' HD21 ' A' ' 51' ' ' LEU . 61.2 Cg_endo -72.65 -7.13 20.3 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.413 2.076 . . . . 0.0 112.582 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.933 HD22 ' ND1' ' A' ' 41' ' ' HIS . 5.3 mp -78.16 -30.65 49.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.062 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 11.1 p -151.36 25.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.238 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.76 34.45 21.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 61' ' ' CYS . 3.2 t30 -75.04 -167.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.836 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -128.0 103.6 7.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.496 HD11 ' CB ' ' A' ' 61' ' ' CYS . 16.0 mt -107.71 139.72 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.578 HG22 ' HB3' ' A' ' 58' ' ' PRO . 20.9 p -137.15 160.86 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.2 mtmm -59.9 161.7 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.0 46.87 7.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -143.93 -62.01 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.718 HD12 HG11 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -59.92 167.77 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -157.18 164.17 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.56 100.99 13.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.8 p -113.71 115.59 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.499 HG23 ' OG ' ' A' ' 80' ' ' SER . 88.3 m -67.84 74.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.523 ' HD3' HD11 ' B' ' 69' ' ' ILE . 4.1 mtt85 -112.93 -35.83 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.783 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.614 ' O ' HG23 ' A' ' 83' ' ' VAL . 7.2 m-85 -127.9 46.49 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.695 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.499 ' OG ' HG23 ' A' ' 77' ' ' THR . 94.5 p -97.26 -71.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.717 ' HB2' HD11 ' B' ' 47' ' ' LEU . 32.0 mm-40 -59.28 -20.94 58.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.726 ' CB ' HD21 ' A' ' 22' ' ' LEU . 4.3 mt -73.23 -30.5 63.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.762 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.776 HG22 HD23 ' A' ' 22' ' ' LEU . 22.5 t -79.4 -40.33 21.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.96 -46.08 72.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.725 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -37.7 80.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.714 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.786 HD21 ' HG2' ' A' ' 18' ' ' MET . 0.1 OUTLIER -57.29 -45.0 84.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.748 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.725 HD21 ' CD2' ' A' ' 30' ' ' LEU . 28.4 mt -60.2 -35.78 76.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -68.13 -39.51 82.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 86' ' ' LEU . 19.3 mt -63.87 -40.97 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 87' ' ' LEU . 5.4 mt -67.26 -39.24 82.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.2 m -60.17 -39.61 87.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.71 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.87 90.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.88 -27.28 66.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -85.79 -26.51 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.74 -67.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -88.13 -62.43 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.628 HG23 HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -55.56 -41.67 73.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 57.47 27.22 58.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.766 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.566 HD23 ' HB ' ' A' ' 97' ' ' THR . 4.5 mm? -76.33 -177.47 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.346 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -97.69 133.38 42.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CD2' HG21 ' A' ' 90' ' ' ILE . 70.9 t80 -110.12 162.33 14.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.73 -64.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.926 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.808 0.337 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.419 ' CB ' ' CD ' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -178.47 -61.61 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' B' ' 27' ' ' GLU . 57.9 Cg_endo -71.5 130.94 17.98 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.522 2.148 . . . . 0.0 112.244 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.67 159.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.01 -48.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.76 -69.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.37 44.92 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.879 ' HB2' HD21 ' A' ' 6' ' ' LEU . . . -146.33 162.13 38.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.676 ' HB3' HD23 ' B' ' 115' ' ' LEU . 1.8 m95 59.47 44.41 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.49 -69.32 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.409 ' ND1' ' N ' ' B' ' 37' ' ' SER . 0.0 OUTLIER -68.2 -31.34 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.409 ' N ' ' ND1' ' B' ' 36' ' ' HIS . 1.5 m -73.83 -34.55 64.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.482 ' CB ' HD22 ' B' ' 115' ' ' LEU . 29.3 ttt180 -60.11 -46.72 88.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.95 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.487 ' HB1' ' CG1' ' A' ' 89' ' ' ILE . . . -60.13 -40.85 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.056 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.731 HD22 ' CD1' ' B' ' 115' ' ' LEU . 10.0 tp -59.41 -42.92 92.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.14 -31.3 69.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -61.82 -53.61 53.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.691 HD11 ' HE2' ' B' ' 104' ' ' MET . 7.6 tt -61.33 -31.1 70.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -59.67 -37.83 79.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -30.69 66.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 81' ' ' GLN . 3.7 mm? -73.88 -32.7 63.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.499 HD21 ' SD ' ' B' ' 104' ' ' MET . 3.4 mm? -79.64 -20.48 46.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 123.5 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -59.83 155.3 16.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -33.73 60.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.449 ' NH1' ' CE1' ' B' ' 70' ' ' PHE . 10.5 mpt_? -102.16 -59.32 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.405 ' O ' ' CG2' ' B' ' 54' ' ' THR . 72.7 m -60.83 -19.45 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.2 t 44.6 47.27 8.54 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.867 0.365 . . . . 0.0 111.288 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -151.59 -175.69 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 37.7 mm -60.66 120.28 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.781 ' O ' HD13 ' B' ' 105' ' ' ILE . 8.9 mt -58.79 158.1 8.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 101.35 2.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.649 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 2.3 tt0 54.05 51.76 8.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.637 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.696 ' HB3' HD22 ' B' ' 57' ' ' LEU . 74.0 Cg_endo -75.4 -168.53 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.562 2.174 . . . . 0.0 112.62 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.86 HG13 ' O ' ' B' ' 96' ' ' LYS . 22.8 t -151.7 140.01 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.566 ' O ' HG21 ' B' ' 75' ' ' VAL . 23.6 m -58.37 -168.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.704 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.718 ' CD2' HG23 ' B' ' 75' ' ' VAL . 0.2 OUTLIER -120.41 -68.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.061 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.41 -109.37 0.23 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.635 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.46 29.35 7.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 21.1 p -116.21 -145.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -135.09 43.34 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 110.975 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.422 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 19.9 m170 -123.64 146.73 47.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.523 HD11 ' HD3' ' A' ' 78' ' ' ARG . 9.0 mt -148.78 141.81 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.916 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CE1' ' NH1' ' B' ' 52' ' ' ARG . 1.1 m-85 -150.51 160.44 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.528 ' O ' HG12 ' B' ' 75' ' ' VAL . 31.2 p -59.02 162.01 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p -57.8 -21.27 41.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.283 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -99.34 20.43 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.486 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 13.6 m -142.85 -53.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 1.111 HG22 HD11 ' B' ' 79' ' ' ILE . 14.8 p -59.97 -39.33 79.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.29 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.404 ' HA ' ' CG1' ' B' ' 79' ' ' ILE . 10.3 t -55.59 -21.82 19.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.355 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -49.96 -26.82 4.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.41 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 50.4 m -153.25 76.68 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 111.324 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 1.111 HD11 HG22 ' B' ' 75' ' ' VAL . 43.6 mm -125.61 158.16 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.001 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . 0.494 ' N ' HG22 ' B' ' 79' ' ' ILE . . . 77.32 25.45 63.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.341 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 82.1 m -158.72 -45.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.94 139.27 3.68 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.537 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.4 t -57.51 134.82 82.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.644 0.259 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.43 -22.07 9.74 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.513 2.142 . . . . 0.0 112.66 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 13.3 t -89.1 -28.99 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.292 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 20.6 m -98.85 -23.1 15.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 62.47 37.62 13.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 3.9 m -119.63 135.85 24.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.29 142.97 55.16 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.468 2.112 . . . . 0.0 112.255 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.14 90.22 4.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . 0.419 ' CH2' ' HG3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -58.54 -25.27 62.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.415 HD11 ' O ' ' B' ' 63' ' ' LEU . 1.2 pt -99.85 88.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.178 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -29.09 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -106.91 142.82 35.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.776 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.81 80.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.86 ' O ' HG13 ' B' ' 61' ' ' VAL . 12.9 mmtt -71.29 139.67 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.802 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 35.0 mt -104.12 135.25 42.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.313 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -97.86 92.42 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.651 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -28.96 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.34 -51.94 63.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.1 -48.51 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.752 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -65.27 -47.22 77.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.786 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 35.4 t -55.38 -31.16 61.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.707 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.691 ' HE2' HD11 ' B' ' 44' ' ' LEU . 17.9 ttm -71.38 -33.2 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.691 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.781 HD13 ' O ' ' B' ' 57' ' ' LEU . 45.1 mt -57.84 -48.84 82.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.72 -39.76 89.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.478 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 1.013 HD23 HG13 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -63.89 -45.82 87.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.606 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.32 -36.78 71.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.582 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -34.48 77.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.445 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.741 ' HE3' HG22 ' A' ' 14' ' ' VAL . 40.4 mtmt -58.64 -51.88 68.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.666 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.59 ' CB ' HD13 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -59.93 -34.91 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.765 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -59.72 -44.59 93.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -75.48 -33.01 60.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.661 HD13 ' O ' ' B' ' 110' ' ' LYS . 9.7 mp -72.32 -31.64 65.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.731 ' CD1' HD22 ' B' ' 41' ' ' LEU . 6.3 mt -74.17 -31.58 62.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -69.46 -74.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.42 -176.93 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -136.8 31.34 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 60.21 106.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.582 HD12 ' H ' ' B' ' 121' ' ' SER . 0.2 OUTLIER -110.53 -35.76 5.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.809 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . 0.582 ' H ' HD12 ' B' ' 120' ' ' LEU . 3.4 m -175.11 160.22 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.889 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tmm? . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.794 0.331 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -98.43 30.15 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' B' ' 34' ' ' TRP . 3.5 tp 56.88 42.34 26.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.77 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.625 ' OG ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 55.05 21.7 3.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.42 22.9 3.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.702 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.6 pp -87.39 83.99 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 55.56 79.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.564 HG12 HD22 ' A' ' 99' ' ' LEU . 21.6 t -126.51 -44.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.982 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -50.61 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -61.19 -28.27 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.546 ' O ' HD12 ' A' ' 15' ' ' ILE . 34.9 t -69.65 -30.72 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -71.87 -36.2 70.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -64.55 -40.02 94.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.614 ' CG1' HD13 ' B' ' 111' ' ' LEU . 24.3 t -59.41 -56.17 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.546 HD12 ' O ' ' A' ' 11' ' ' VAL . 3.8 mt -56.66 -29.8 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.201 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -63.0 -58.39 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.688 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.53 -31.64 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.785 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.693 ' HG2' HD13 ' A' ' 86' ' ' LEU . 6.4 tpp -64.61 -35.36 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.464 ' HA ' HD23 ' A' ' 86' ' ' LEU . 5.7 tt0 -68.13 -32.81 73.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -59.53 -40.43 87.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.723 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.847 HD13 ' HG2' ' B' ' 104' ' ' MET . 4.9 mt -66.1 -31.39 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.851 HD12 HG22 ' A' ' 83' ' ' VAL . 3.9 mm? -107.17 31.03 5.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -99.17 -170.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.38 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.4 t -111.5 141.47 24.59 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.704 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.449 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 68.7 Cg_endo -93.25 -9.42 2.04 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.825 2.35 . . . . 0.0 114.638 -178.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 27' ' ' CYS . 2.1 pt -131.62 -32.62 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.451 ' N ' HG13 ' A' ' 26' ' ' ILE . 9.9 m -105.81 -13.51 15.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.665 0.269 . . . . 0.0 111.453 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 3.4 mm? 59.3 27.46 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.829 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 9.6 pt-20 -113.05 126.85 55.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 87' ' ' LEU . 12.0 tp -38.33 100.82 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.446 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.905 HG22 ' HB3' ' A' ' 44' ' ' CYS . 28.7 pt -50.71 141.43 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.748 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.19 -39.86 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.705 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 35' ' ' VAL . 13.1 mp0 -110.46 93.48 16.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' CB ' ' A' ' 80' ' ' SER . 78.4 Cg_exo -48.33 120.94 5.54 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.575 2.183 . . . . 0.0 112.779 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.821 HG21 ' HA ' ' A' ' 45' ' ' LYS . 40.4 t -127.36 123.82 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.49 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' HIS . 14.3 p -105.51 130.76 53.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.926 0.393 . . . . 0.0 111.576 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.459 HG22 ' HE3' ' A' ' 48' ' ' MET . 13.6 p -96.5 163.72 12.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.514 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HG2' ' CZ2' ' B' ' 91' ' ' TRP . 4.6 mttp -47.18 -26.17 1.09 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.098 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.79 10.02 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.2 t70 63.58 44.93 4.92 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.027 0.442 . . . . 0.0 110.478 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.727 ' ND1' HD22 ' A' ' 63' ' ' LEU . 26.7 m170 -108.17 -173.63 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.999 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 41' ' ' HIS . 25.8 mm -133.22 154.07 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.27 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CE2' ' HG2' ' A' ' 25' ' ' PRO . 63.3 m-85 -153.37 174.28 14.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.905 ' HB3' HG22 ' A' ' 31' ' ' ILE . 18.8 p -97.79 27.7 4.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.821 ' HA ' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER 62.87 144.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.835 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.4 t80 74.7 4.13 4.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.504 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 26' ' ' ILE . 85.2 m -76.97 -32.82 57.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.981 0.419 . . . . 0.0 110.585 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.459 ' HE3' HG22 ' A' ' 37' ' ' THR . 12.4 mmt -65.84 -42.6 90.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.509 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.32 -45.76 92.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.537 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -76.15 -31.9 58.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.73 -31.14 64.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 70' ' ' LYS . 1.1 mp -88.54 -35.71 16.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -73.76 -34.63 64.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -58.73 -31.23 68.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -97.66 -176.82 3.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 18.06 19.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.95 -154.54 9.07 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.617 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.87 ' HB3' HG22 ' A' ' 69' ' ' THR . 88.3 Cg_exo -47.53 144.68 9.99 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.806 2.338 . . . . 0.0 112.576 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -171.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.769 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -165.33 104.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 45.9 t -45.38 104.29 0.39 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.57 -12.03 34.13 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.452 2.101 . . . . 0.0 112.566 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.727 HD22 ' ND1' ' A' ' 41' ' ' HIS . 5.6 mp -79.16 -30.57 43.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.6 m -118.69 -61.27 1.67 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.77 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 pttp 172.54 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 173.35 137.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 169.35 39.07 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.4 mt -151.94 143.59 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.99 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.87 HG22 ' HB3' ' A' ' 58' ' ' PRO . 21.5 p -148.62 36.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HB2' HD22 ' A' ' 52' ' ' LEU . 18.6 ttmm 59.28 162.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 59.42 71.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -172.04 -56.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.403 ' CD1' ' HG3' ' A' ' 48' ' ' MET . 0.3 OUTLIER -59.54 -178.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -173.06 138.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.793 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.03 101.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -101.8 169.98 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.1 m -110.7 72.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.844 ' CD ' HD11 ' B' ' 69' ' ' ILE . 0.5 OUTLIER -118.76 -64.28 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.591 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.4 m-85 -97.52 37.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.412 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -87.55 -69.8 0.66 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.595 ' HB2' HD11 ' B' ' 47' ' ' LEU . 25.0 mt-30 -63.32 -28.01 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.747 ' HG ' HD22 ' B' ' 47' ' ' LEU . 15.3 mt -59.32 -30.98 68.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.865 0.364 . . . . 0.0 110.632 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.851 HG22 HD12 ' A' ' 22' ' ' LEU . 21.9 t -78.51 -52.77 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.939 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.04 -37.72 88.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.798 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -59.05 -47.83 83.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.815 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.752 ' HA ' HD12 ' A' ' 89' ' ' ILE . 16.3 tp -58.62 -47.08 85.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 90' ' ' ILE . 7.5 tp -54.14 -30.32 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -75.84 -31.16 59.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 86' ' ' LEU . 30.9 mt -69.02 -31.68 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.714 HG21 ' CD2' ' A' ' 101' ' ' TYR . 4.5 mt -78.39 -39.65 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.83 -50.9 72.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' B' ' 36' ' ' HIS . . . -59.51 -47.9 83.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' A' ' 97' ' ' THR . 2.9 t80 -59.55 -47.38 85.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.33 -30.69 69.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -47.83 84.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.4 -66.64 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.712 ' HB ' HD13 ' A' ' 99' ' ' LEU . 16.4 p -66.44 -54.1 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.77 28.36 73.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.55 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 97' ' ' THR . 7.0 mp -79.17 167.08 21.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.13 144.07 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.714 ' CD2' HG21 ' A' ' 90' ' ' ILE . 15.0 t80 -130.49 -63.11 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -168.31 134.24 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.889 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -81.63 149.83 65.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.08 -179.55 3.14 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.56 2.173 . . . . 0.0 112.33 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -104.88 175.94 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.22 -113.52 4.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -139.77 153.13 47.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.68 -108.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.527 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.679 ' HB1' HD11 ' A' ' 3' ' ' LEU . . . -64.05 155.12 32.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.322 . . . . 0.0 111.071 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.724 ' HB2' HD21 ' A' ' 3' ' ' LEU . 72.0 t-105 60.34 92.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -174.17 -41.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.592 ' HB2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.37 -29.45 66.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -74.16 -31.61 62.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.65 ' HA ' HD21 ' B' ' 115' ' ' LEU . 0.3 OUTLIER -60.53 -53.03 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.32 87.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.624 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -65.97 -32.69 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.627 HD21 ' SG ' ' B' ' 108' ' ' CYS . 9.5 tt -58.06 -45.76 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -65.86 -32.49 74.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.784 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -60.51 -31.47 70.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tt -75.46 -40.15 57.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -59.98 -25.29 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -32.24 56.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.06 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.747 HD22 ' HG ' ' A' ' 82' ' ' LEU . 4.0 mp -95.22 17.71 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.501 ' CD1' HD11 ' B' ' 101' ' ' LEU . 0.9 OUTLIER -129.1 -40.87 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.062 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.13 105.62 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.864 0.364 . . . . 0.0 110.988 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 41.1 t -51.02 153.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.274 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -85.97 -31.29 22.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.451 ' CD ' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -88.12 -58.61 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.404 ' O ' ' CG2' ' B' ' 54' ' ' THR . 91.1 m -68.41 -13.15 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.392 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.5 t 44.62 50.51 8.38 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.991 0.424 . . . . 0.0 111.321 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -169.12 -165.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.762 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.489 HG22 ' N ' ' B' ' 57' ' ' LEU . 40.3 mm -57.52 158.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' B' ' 60' ' ' PRO . 13.1 mt -98.27 164.36 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -169.28 113.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.486 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 4.7 tt0 47.73 51.02 9.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.629 ' HB3' HD22 ' B' ' 57' ' ' LEU . 73.6 Cg_endo -76.78 177.49 8.79 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.644 2.229 . . . . 0.0 112.689 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.796 HG13 ' O ' ' B' ' 96' ' ' LYS . 38.2 t -136.46 138.58 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.566 ' O ' HD11 ' B' ' 92' ' ' ILE . 0.8 OUTLIER -59.0 168.45 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.502 HD23 ' CE1' ' B' ' 70' ' ' PHE . 0.6 OUTLIER -99.56 -54.57 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.18 -105.94 0.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.557 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.0 38.42 2.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.77 -145.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -128.1 42.59 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -131.01 141.68 50.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.844 HD11 ' CD ' ' A' ' 78' ' ' ARG . 13.9 mt -141.81 147.68 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.502 ' CE1' HD23 ' B' ' 63' ' ' LEU . 8.5 m-85 -146.07 170.86 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 111.039 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.6 m -61.2 178.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.65 ' HA ' HG23 ' B' ' 61' ' ' VAL . 0.4 OUTLIER -70.76 -30.36 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -94.71 17.62 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.232 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 51.3 m -101.19 -65.89 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.1 -29.67 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -48.81 -27.94 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.281 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -47.03 65.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 50.2 m -138.51 57.06 1.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.756 HD11 HD12 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -95.89 139.66 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.359 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . 0.446 ' HA2' ' HB3' ' B' ' 90' ' ' ALA . . . 112.38 -28.8 8.79 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.808 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.3 t -76.36 -28.54 56.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 110.601 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' B' ' 89' ' ' PRO . . . 104.38 139.12 9.91 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.495 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.42 127.61 77.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.594 0.235 . . . . 0.0 110.973 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -78.54 -16.35 13.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.57 2.18 . . . . 0.0 112.606 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 26.3 t -89.51 -28.63 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 16.1 m -94.81 -18.58 21.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.216 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 65.21 36.79 6.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.457 HG23 ' HD2' ' B' ' 89' ' ' PRO . 89.7 m -132.63 139.33 34.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.751 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . 0.457 ' HD2' HG23 ' B' ' 88' ' ' THR . 49.1 Cg_endo -69.0 143.64 55.22 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.449 2.099 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.446 ' HB3' ' HA2' ' B' ' 80' ' ' GLY . . . -65.81 91.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . 0.411 ' CZ2' ' HG2' ' A' ' 38' ' ' LYS . 51.6 t90 -57.51 -23.37 49.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.756 HD12 HD11 ' B' ' 79' ' ' ILE . 1.1 pt -96.61 85.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -58.48 -27.57 64.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -99.74 164.98 11.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.623 ' CD1' HG11 ' B' ' 61' ' ' VAL . 3.9 mm? -82.44 73.35 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.796 ' O ' HG13 ' B' ' 61' ' ' VAL . 11.1 mttt -69.7 137.5 52.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mt -110.64 134.84 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -93.44 90.22 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -56.58 -29.05 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.19 -55.28 19.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' B' ' 48' ' ' LEU . 11.3 tp -59.97 -30.97 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.8 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.786 ' HA ' HD12 ' B' ' 105' ' ' ILE . 2.2 m-20 -64.81 -50.76 65.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.664 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -60.7 -31.85 71.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.72 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.847 ' HG2' HD13 ' A' ' 21' ' ' ILE . 2.4 mtp -60.26 -42.53 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' B' ' 102' ' ' ASP . 4.8 mt -59.73 -57.02 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.009 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -57.89 -32.11 67.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.678 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.727 HD13 ' HE2' ' B' ' 110' ' ' LYS . 0.3 OUTLIER -61.02 -53.01 62.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.726 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.627 ' SG ' HD21 ' B' ' 41' ' ' LEU . 52.6 t -57.71 -31.7 66.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.769 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -39.66 85.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.727 ' HE2' HD13 ' B' ' 107' ' ' LEU . 39.3 mtmt -62.21 -48.63 79.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.618 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' B' ' 114' ' ' LEU . 2.8 tp -60.28 -37.3 80.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -59.54 -38.49 81.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -68.53 -33.43 74.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' B' ' 111' ' ' LEU . 4.4 mt -75.55 -30.94 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.65 HD21 ' HA ' ' B' ' 38' ' ' ARG . 8.5 mp -74.59 -30.94 61.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -133.0 109.73 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -117.6 31.58 6.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -144.82 -53.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.56 86.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.4 -46.94 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 2.7 m -146.35 179.34 7.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.872 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.829 0.347 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.22 153.97 20.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.754 HD22 ' CZ3' ' B' ' 34' ' ' TRP . 5.1 mp -83.77 58.61 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.2 m 64.16 15.4 9.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.349 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.72 23.15 3.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.715 0.293 . . . . 0.0 111.535 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.75 -30.75 61.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 110.725 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.431 ' HG2' ' CZ2' ' B' ' 34' ' ' TRP . 0.5 OUTLIER -164.88 -80.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.404 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t 64.1 -73.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.281 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -55.79 -30.76 61.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.044 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' OE1' HD21 ' B' ' 114' ' ' LEU . 1.2 tm-20 -72.06 -59.89 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.768 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 93' ' ' PHE . 22.5 t -59.46 -39.53 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -54.32 -47.16 72.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -60.74 -31.87 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.537 HG13 HD13 ' B' ' 107' ' ' LEU . 25.2 t -68.39 -43.32 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.855 HD12 HG22 ' A' ' 89' ' ' ILE . 25.6 mm -58.7 -44.27 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.69 -45.16 72.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.763 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.78 -33.23 70.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.7 ' SD ' HD13 ' B' ' 44' ' ' LEU . 25.7 ttm -71.41 -31.32 67.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.802 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.88 -28.9 67.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -57.04 -33.67 67.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.556 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.3 mp -70.09 -21.63 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 82' ' ' LEU . 2.9 mm? -117.98 41.04 2.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.696 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -104.16 -175.61 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.446 ' HB3' ' N ' ' A' ' 28' ' ' LEU . 8.7 t -108.98 140.1 21.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.644 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.463 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 63.0 Cg_endo -93.17 -9.8 1.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.887 2.391 . . . . 0.0 114.652 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.538 HG21 ' HG3' ' A' ' 62' ' ' PRO . 3.1 pt -129.64 -32.97 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.456 ' N ' HG13 ' A' ' 26' ' ' ILE . 9.8 m -106.01 -14.78 15.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.573 0.225 . . . . 0.0 111.318 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' N ' ' HB3' ' A' ' 24' ' ' CYS . 2.7 mm? 60.67 26.37 16.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.685 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 3.2 mt-10 -111.65 124.53 52.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.705 HD21 HD21 ' A' ' 87' ' ' LEU . 14.7 tp -37.11 102.3 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.499 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.773 HG22 ' HB3' ' A' ' 44' ' ' CYS . 36.4 pt -52.28 136.17 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.505 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -36.8 5.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.627 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -114.56 81.66 7.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.567 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HG2' ' CA ' ' A' ' 80' ' ' SER . 73.7 Cg_exo -49.07 140.82 23.94 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.648 2.232 . . . . 0.0 112.502 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG11 ' SD ' ' A' ' 48' ' ' MET . 11.0 p -149.42 126.71 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.942 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.7 p -93.96 116.83 29.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.597 HG21 ' CE1' ' A' ' 43' ' ' PHE . 3.7 p -79.69 162.7 25.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.496 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -47.99 -27.54 2.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.901 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.1 t -91.73 15.54 12.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.33 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 63.65 41.54 7.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.851 0.357 . . . . 0.0 110.674 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 26.1 m170 -109.27 149.15 29.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 41.8 mm -98.63 150.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.462 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.597 ' CE1' HG21 ' A' ' 37' ' ' THR . 92.6 m-85 -157.62 172.32 18.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.53 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.773 ' HB3' HG22 ' A' ' 31' ' ' ILE . 19.8 p -97.93 31.13 2.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 tptt 70.17 -63.29 0.4 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.48 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -47.96 -29.23 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.431 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HA ' HD11 ' A' ' 26' ' ' ILE . 38.1 m -60.59 -38.56 85.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.66 ' SD ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -59.11 -38.77 80.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 46' ' ' PHE . 4.5 mp -68.56 -47.8 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.821 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -69.38 -37.87 77.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.594 HD23 ' HB2' ' A' ' 59' ' ' SER . 7.7 tp -71.32 -30.83 66.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 48' ' ' MET . 13.7 mt -82.31 -34.26 28.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -98.56 -0.55 43.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.421 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -59.32 -75.71 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.71 28.92 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.7 mttt 60.28 158.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.54 -156.92 52.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.553 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.79 152.7 12.82 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.606 2.204 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.594 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.09 138.05 34.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.446 ' O ' HD11 ' A' ' 51' ' ' LEU . 14.3 mt-30 -96.83 114.72 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.35 116.74 12.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.538 ' HG3' HG21 ' A' ' 26' ' ' ILE . 82.5 Cg_endo -86.51 39.33 0.63 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.714 2.276 . . . . 0.0 112.602 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HB2' ' CE1' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -133.95 -47.09 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.948 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.0 p -135.0 27.67 3.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tptt 55.7 23.25 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.25 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -60.07 -167.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -140.49 110.58 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.562 ' CG2' HD21 ' A' ' 73' ' ' LEU . 3.9 mt -101.86 141.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.51 49.57 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.717 ' HA ' HD23 ' A' ' 73' ' ' LEU . 3.7 tttt 55.86 -173.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.81 -62.6 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.309 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -21.41 35.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.299 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 70' ' ' LYS . 3.3 mm? -70.76 106.76 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -130.06 123.06 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.28 118.08 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -91.81 157.68 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.6 m -112.96 -21.4 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.262 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.34 -35.39 69.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.07 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.701 ' HA ' HD12 ' A' ' 82' ' ' LEU . 2.9 m-85 -102.77 22.07 14.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.199 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.402 ' CA ' ' HG2' ' A' ' 34' ' ' PRO . 10.5 t -91.5 -58.32 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.661 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.459 ' HB2' HD11 ' B' ' 47' ' ' LEU . 68.2 mt-30 -66.6 -27.77 67.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 79' ' ' PHE . 89.1 mt -59.2 -31.98 69.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.466 HG11 ' O ' ' A' ' 31' ' ' ILE . 20.6 t -75.28 -56.0 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.58 -39.31 83.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.56 ' OE1' HD13 ' B' ' 47' ' ' LEU . 13.2 mt-10 -60.39 -42.27 95.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.06 -38.0 78.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.705 HD21 HD21 ' A' ' 30' ' ' LEU . 4.1 mm? -59.48 -42.88 93.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -66.32 -32.0 73.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.855 HG22 HD12 ' A' ' 15' ' ' ILE . 15.6 mt -74.81 -31.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.743 HD11 HD12 ' A' ' 86' ' ' LEU . 5.4 mt -79.37 -47.56 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.1 m -59.59 -46.01 90.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.555 ' HB1' ' CD2' ' B' ' 36' ' ' HIS . . . -59.57 -43.81 93.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.518 ' CE2' HG21 ' A' ' 97' ' ' THR . 13.7 t80 -56.43 -30.69 63.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.28 -30.93 54.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 tp -62.56 -33.24 74.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.55 ' HB3' HD11 ' A' ' 3' ' ' LEU . 1.1 m-20 -96.95 -71.69 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.646 ' HB ' HD13 ' A' ' 99' ' ' LEU . 12.6 p -59.57 -57.39 13.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.82 27.53 23.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.646 HD13 ' HB ' ' A' ' 97' ' ' THR . 9.1 mp -92.09 164.59 13.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -78.55 152.48 31.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.49 ' CG ' HG21 ' A' ' 90' ' ' ILE . 47.6 t80 -110.75 151.94 27.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 60.57 106.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.7 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.928 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 11.4 ttp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -115.2 84.77 11.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.22 90.13 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.567 2.178 . . . . 0.0 112.267 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -106.22 -31.23 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 164.42 48.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -106.25 116.24 31.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -133.0 137.94 9.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.62 ' HB1' HD23 ' A' ' 3' ' ' LEU . . . -132.31 157.5 44.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.754 ' CZ3' HD22 ' A' ' 3' ' ' LEU . 12.1 m95 60.11 30.72 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.14 -62.11 1.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.555 ' CD2' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.11 -30.64 69.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.5 t -62.46 -31.55 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -44.99 52.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.53 92.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.636 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -66.04 -36.09 82.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' B' ' 111' ' ' LEU . 14.6 tp -59.76 -46.58 88.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -61.79 -34.87 76.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -57.87 -39.21 77.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.7 HD13 ' SD ' ' A' ' 18' ' ' MET . 7.7 tt -77.47 -29.96 52.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.86 -31.02 68.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -30.72 64.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.614 ' CB ' HD21 ' A' ' 82' ' ' LEU . 2.8 mp -100.68 18.01 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.215 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.619 HD12 HG12 ' B' ' 105' ' ' ILE . 3.8 mm? -122.76 -41.51 2.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -55.76 130.18 42.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 0.646 ' CA ' HD23 ' B' ' 57' ' ' LEU . 48.0 t -60.15 156.42 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' B' ' 70' ' ' PHE . 1.3 m -78.77 -34.06 45.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -60.33 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.787 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' B' ' 54' ' ' THR . 35.9 m -57.39 -22.48 43.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 5.3 t 44.12 62.25 2.05 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.42 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -168.52 -178.49 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 32.8 mm -69.81 75.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.666 ' O ' HG21 ' B' ' 105' ' ' ILE . 2.5 pp -51.38 170.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.488 ' HA ' HD13 ' B' ' 105' ' ' ILE . 1.5 mtp85 -149.86 124.0 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 68.5 tt0 56.36 53.42 7.55 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.607 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.541 ' HG3' HD13 ' B' ' 57' ' ' LEU . 52.1 Cg_endo -69.52 -174.23 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.59 2.193 . . . . 0.0 112.577 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.811 HG13 ' O ' ' B' ' 96' ' ' LYS . 22.3 t -131.34 145.78 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.0 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.3 m -73.67 140.19 45.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.791 HD22 HG23 ' B' ' 75' ' ' VAL . 1.1 tm? -63.04 -63.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.81 -51.59 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.529 ' O ' HG21 ' B' ' 88' ' ' THR . . . -179.49 43.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.523 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 0.5 OUTLIER -121.34 -80.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' B' ' 66' ' ' CYS . 35.0 tt0 177.34 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.436 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 31.3 m80 -55.42 140.32 40.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.168 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.536 HG21 HD13 ' B' ' 101' ' ' LEU . 2.1 mp -131.59 128.99 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.713 ' CE1' HD23 ' B' ' 63' ' ' LEU . 0.7 OUTLIER -129.16 167.24 17.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.867 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 16.0 m -62.36 -169.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.689 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.5 ' HA ' HG23 ' B' ' 61' ' ' VAL . 83.6 p -96.31 27.88 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -156.19 23.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 12.5 m -132.67 -49.86 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.801 HG22 HD11 ' B' ' 79' ' ' ILE . 11.6 p -57.95 -31.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.071 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -64.52 80.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -152.31 -47.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 69.2 m -128.16 38.41 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.785 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.801 HD11 HG22 ' B' ' 75' ' ' VAL . 12.8 mm -73.29 -31.86 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.39 -27.77 68.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.49 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.456 HG23 ' N ' ' B' ' 82' ' ' GLY . 11.1 t -105.53 -47.62 3.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . 0.649 ' HA2' ' HB2' ' B' ' 90' ' ' ALA . . . 152.72 -118.3 0.87 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.441 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 45.0 t -118.05 134.31 23.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 120.622 0.248 . . . . 0.0 110.77 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -77.87 -16.67 14.33 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.517 2.145 . . . . 0.0 112.692 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 20.9 t -96.37 -66.78 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.798 0.332 . . . . 0.0 111.336 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 27.0 m -70.8 -14.49 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.319 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 61.94 26.51 16.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.75 0.309 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.529 HG21 ' O ' ' B' ' 65' ' ' GLY . 64.7 m -93.67 128.81 40.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.07 143.1 63.76 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.38 2.054 . . . . 0.0 112.295 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.649 ' HB2' ' HA2' ' B' ' 82' ' ' GLY . . . -68.84 114.52 7.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -94.08 16.57 14.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.327 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.547 HD11 ' O ' ' B' ' 63' ' ' LEU . 14.4 pt -118.19 -41.24 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 61.12 15.77 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.459 ' O ' HD12 ' B' ' 92' ' ' ILE . 1.5 t0 -160.84 -176.51 5.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.819 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 29.2 mt -109.2 90.9 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.811 ' O ' HG13 ' B' ' 61' ' ' VAL . 11.3 mttp -84.49 -172.37 4.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.486 HD13 ' O ' ' B' ' 96' ' ' LYS . 23.4 mm -131.96 135.39 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.18 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -81.32 81.35 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.757 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -56.98 -32.12 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -81.67 -55.8 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.942 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.536 HD13 HG21 ' B' ' 69' ' ' ILE . 0.3 OUTLIER -60.68 -41.21 94.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.486 ' HA ' HD12 ' B' ' 105' ' ' ILE . 30.0 t0 -59.12 -48.57 81.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.85 -30.45 63.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.545 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.578 ' CE ' HD11 ' B' ' 44' ' ' LEU . 24.9 ttm -71.02 -32.38 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.654 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.666 HG21 ' O ' ' B' ' 57' ' ' LEU . 59.1 mt -59.1 -51.47 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.562 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.73 -31.44 71.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.63 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -62.56 -51.1 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.781 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.5 t -58.52 -31.84 68.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -41.3 93.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.707 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.519 ' HE3' HG22 ' A' ' 14' ' ' VAL . 15.7 mtmt -59.87 -51.33 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.785 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' B' ' 41' ' ' LEU . 0.7 OUTLIER -62.99 -35.86 81.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -38.13 78.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -87.29 -31.24 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.496 ' CD1' HG21 ' A' ' 14' ' ' VAL . 40.3 mt -65.08 -31.54 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.561 HD23 ' HB3' ' B' ' 34' ' ' TRP . 1.9 mt -92.33 -31.22 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -59.86 -42.09 92.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.51 85.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -159.2 151.35 21.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.38 166.99 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 17.0 mt -142.64 33.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 4.3 m 60.45 102.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.902 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.726 0.298 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.531 ' O ' HG21 ' A' ' 8' ' ' VAL . 45.3 m-20 57.71 30.24 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.599 HD11 ' OD2' ' A' ' 96' ' ' ASP . 3.2 tp 56.3 37.85 29.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m 62.17 21.32 12.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.27 23.32 5.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.419 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 3' ' ' LEU . 12.0 mt -58.28 -53.17 61.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.017 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.6 ttt180 -175.36 49.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.606 ' CG1' HD22 ' A' ' 99' ' ' LEU . 21.5 t -85.13 -30.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.73 -38.72 73.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.458 ' CB ' HD22 ' B' ' 114' ' ' LEU . 7.0 mm-40 -68.71 -52.58 29.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 7' ' ' ARG . 38.9 t -59.13 -47.25 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -53.16 -34.95 59.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -69.5 -30.96 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.49 HG13 ' HE3' ' B' ' 110' ' ' LYS . 34.6 t -73.93 -37.12 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.9 mm -65.12 -32.47 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.98 -45.66 60.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.786 ' HB3' HD11 ' B' ' 107' ' ' LEU . . . -58.78 -44.46 90.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.668 ' HA ' HD12 ' A' ' 21' ' ' ILE . 6.0 ttm -57.72 -41.07 81.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -59.24 -40.09 84.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -59.05 -31.92 69.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 18' ' ' MET . 27.9 mt -70.59 -31.34 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.75 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.737 HD12 HG22 ' A' ' 83' ' ' VAL . 3.8 mm? -105.14 29.58 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.762 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.86 -169.49 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.133 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' HB3' ' CA ' ' A' ' 28' ' ' LEU . 10.7 t -114.93 137.47 22.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.944 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -93.86 13.12 1.64 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.976 2.451 . . . . 0.0 114.019 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.574 HG21 ' HE2' ' A' ' 43' ' ' PHE . 2.3 pp -138.0 -40.2 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.548 ' HB3' HD12 ' A' ' 26' ' ' ILE . 28.6 p -125.07 2.34 7.95 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CA ' ' HB3' ' A' ' 24' ' ' CYS . 4.5 mm? 57.09 29.8 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.343 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 5.3 mm-40 -103.96 119.61 39.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.608 0.242 . . . . 0.0 110.862 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' CD2' HD21 ' A' ' 87' ' ' LEU . 16.0 tp -38.17 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.385 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.815 HG22 ' SG ' ' A' ' 44' ' ' CYS . 24.1 pt -49.78 133.54 8.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.633 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.43 -33.42 6.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -115.76 80.73 8.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.73 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HG2' ' CA ' ' A' ' 80' ' ' SER . 63.7 Cg_exo -51.34 131.65 36.93 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.597 2.198 . . . . 0.0 112.542 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.2 p -145.56 120.67 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.861 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.8 p -75.55 128.91 36.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.77 HG22 HD23 ' A' ' 73' ' ' LEU . 4.0 p -95.79 162.94 13.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.7 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HD3' ' CZ3' ' B' ' 91' ' ' TRP . 0.5 OUTLIER -47.82 -28.36 2.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.537 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 1.8 m -96.26 26.46 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.122 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 54.27 51.22 14.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.29 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.929 ' ND1' HD22 ' A' ' 63' ' ' LEU . 89.5 m-70 -126.02 151.42 47.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.427 HG13 ' CD2' ' A' ' 79' ' ' PHE . 32.8 mm -97.78 138.37 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' HE2' HG21 ' A' ' 26' ' ' ILE . 15.5 m-85 -136.38 177.44 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.815 ' SG ' HG22 ' A' ' 31' ' ' ILE . 3.7 m -99.56 30.49 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt 64.02 -75.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.464 ' HA ' HD13 ' A' ' 49' ' ' LEU . 1.1 t80 -52.47 -26.31 12.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.204 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.477 ' SG ' HD11 ' A' ' 26' ' ' ILE . 74.2 m -57.51 -31.42 66.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.561 ' CE ' HD21 ' A' ' 73' ' ' LEU . 9.2 mmt -68.85 -37.3 79.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 46' ' ' PHE . 4.1 mp -59.5 -56.18 25.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -38.64 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.796 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 59' ' ' SER . 20.5 tp -69.99 -32.59 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.703 HD23 ' N ' ' A' ' 59' ' ' SER . 10.3 mt -77.72 -30.93 51.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.38 -20.08 20.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -54.39 -30.6 52.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.104 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -136.77 23.98 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? 60.66 154.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.989 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 56.09 -156.25 11.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.584 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.12 158.77 3.11 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.593 2.195 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.703 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -91.18 -174.66 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -133.73 113.39 12.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.504 ' HA ' HD11 ' A' ' 68' ' ' ILE . 46.7 t -57.1 109.49 1.77 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.54 -15.4 22.0 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.508 2.139 . . . . 0.0 112.68 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.929 HD22 ' ND1' ' A' ' 41' ' ' HIS . 4.7 mp -79.47 -28.37 41.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 111.228 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 m -138.95 21.45 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.274 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.02 28.06 1.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.802 0.334 . . . . 0.0 111.243 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -82.95 -169.15 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -124.62 102.08 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.504 HD11 ' HA ' ' A' ' 61' ' ' CYS . 24.1 mt -82.48 158.59 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.494 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -134.22 -174.62 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 52' ' ' LEU . 15.6 mttm -98.17 33.66 2.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.9 mtm-85 -168.34 34.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.74 -43.2 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.77 HD23 HG22 ' A' ' 37' ' ' THR . 1.9 mp -60.07 169.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -141.63 91.19 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.29 102.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.0 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 m -130.2 -175.77 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.579 HG23 ' OG ' ' A' ' 80' ' ' SER . 82.1 m -114.34 85.68 2.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -53.16 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.717 ' O ' HG23 ' A' ' 83' ' ' VAL . 42.2 m-85 -108.39 33.3 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.741 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.579 ' OG ' HG23 ' A' ' 77' ' ' THR . 21.8 p -85.56 -41.56 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.717 ' HB2' HD22 ' B' ' 47' ' ' LEU . 7.3 mm-40 -83.53 -31.2 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.721 HD23 HD12 ' B' ' 47' ' ' LEU . 44.6 mt -63.15 -30.78 71.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.737 HG22 HD12 ' A' ' 22' ' ' LEU . 25.6 t -82.93 -34.7 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -76.68 -49.72 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -41.34 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.729 ' HA ' HD12 ' A' ' 89' ' ' ILE . 19.3 tp -57.59 -47.68 81.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.873 ' HA ' HD12 ' A' ' 90' ' ' ILE . 49.5 mt -57.05 -31.04 64.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -73.89 -37.19 64.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.759 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 86' ' ' LEU . 18.2 mt -66.92 -32.7 59.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 87' ' ' LEU . 11.9 mt -68.29 -42.46 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.1 m -64.8 -36.35 84.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' B' ' 36' ' ' HIS . . . -59.74 -40.72 89.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.442 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -59.13 -56.17 25.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -62.32 -30.9 71.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.12 -41.93 93.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.599 ' OD2' HD11 ' A' ' 3' ' ' LEU . 37.4 t0 -98.55 -65.74 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.648 ' HB ' HD13 ' A' ' 99' ' ' LEU . 14.6 p -58.64 -56.59 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.99 26.96 22.75 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.548 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.648 HD13 ' HB ' ' A' ' 97' ' ' THR . 8.3 mp -94.11 165.97 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.58 131.06 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.582 ' CD2' HG21 ' A' ' 90' ' ' ILE . 38.3 t80 -86.28 -38.33 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -174.23 79.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.5 t30 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.913 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.8 0.333 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.91 153.96 38.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 107.7 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.628 2.219 . . . . 0.0 112.297 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -154.53 -53.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 165.63 42.07 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.576 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -105.41 -31.2 9.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.43 51.01 3.62 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.48 156.06 33.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' TRP . . . . . 0.586 ' CZ2' HD23 ' A' ' 3' ' ' LEU . 25.7 m95 60.14 31.5 20.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.86 -60.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -60.01 -30.72 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -35.24 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -44.3 54.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.0 75.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.572 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -59.84 -31.49 69.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' B' ' 111' ' ' LEU . 48.6 tp -60.75 -46.87 88.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -59.68 -36.08 75.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -61.81 -40.93 96.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.506 HD23 HD12 ' B' ' 48' ' ' LEU . 8.0 tt -71.09 -31.22 67.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -58.88 -39.87 82.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -26.29 60.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.721 HD12 HD23 ' A' ' 82' ' ' LEU . 6.4 mt -79.65 -30.01 41.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.683 HD22 HG13 ' B' ' 105' ' ' ILE . 10.5 mt -93.32 -25.24 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -52.72 122.14 8.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . 0.535 ' HB2' HD23 ' B' ' 57' ' ' LEU . 42.5 t -55.97 149.85 14.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -29.9 59.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -97.88 -58.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.408 ' O ' ' CG2' ' B' ' 54' ' ' THR . 14.1 m -63.91 -16.76 62.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.308 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' B' ' 53' ' ' CYS . 9.1 t 44.63 45.31 7.91 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.921 0.391 . . . . 0.0 111.382 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -157.46 -172.39 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.819 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 34.0 mm -68.2 128.86 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.782 ' O ' HG21 ' B' ' 105' ' ' ILE . 0.4 OUTLIER -112.37 151.69 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.459 ' HA ' HD13 ' B' ' 105' ' ' ILE . 6.8 ptt-85 -127.74 119.46 25.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' B' ' 60' ' ' PRO . 11.3 tt0 58.84 54.31 5.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.706 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 59' ' ' GLU . 41.4 Cg_endo -67.25 177.15 4.0 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.605 2.204 . . . . 0.0 112.362 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.781 HG13 ' O ' ' B' ' 96' ' ' LYS . 38.4 t -124.64 146.86 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.474 ' O ' HD13 ' B' ' 92' ' ' ILE . 29.3 p -77.32 134.67 38.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.752 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.697 HD23 ' CE1' ' B' ' 70' ' ' PHE . 0.5 OUTLIER -58.75 -58.72 7.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.07 -66.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.781 ' O ' HG21 ' B' ' 88' ' ' THR . . . -157.6 40.93 0.53 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.585 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 20.1 p -123.39 -145.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -131.05 42.43 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 111.077 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.436 ' HB3' ' CZ ' ' B' ' 70' ' ' PHE . 36.4 m170 -135.5 137.35 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.608 HG21 ' CD1' ' B' ' 101' ' ' LEU . 3.2 mp -126.01 141.2 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.697 ' CE1' HD23 ' B' ' 63' ' ' LEU . 0.5 OUTLIER -139.25 173.0 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 15.8 m -62.26 -176.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.711 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.505 ' HA ' HG23 ' B' ' 61' ' ' VAL . 53.9 p -102.16 26.37 7.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -148.68 17.58 1.01 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.458 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 7.0 p -133.35 -44.94 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 111.053 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.833 HG22 HG12 ' B' ' 79' ' ' ILE . 12.0 p -62.96 -30.9 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 50.0 m -53.03 -30.71 37.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.43 105.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.821 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' CYS . . . . . . . . . . . . . 6.5 m 59.32 25.71 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.833 HG12 HG22 ' B' ' 75' ' ' VAL . 0.3 OUTLIER -54.05 -41.52 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.448 -179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.62 69.63 1.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.533 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 58.2 m -163.76 -44.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.833 0.349 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.42 140.64 5.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.363 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 51.7 t -56.76 133.14 78.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.584 0.231 . . . . 0.0 110.978 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.6 -19.37 8.8 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.593 2.195 . . . . 0.0 112.703 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 21.2 t -91.53 -26.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.323 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' CYS . . . . . . . . . . . . . 61.3 m -103.22 -22.97 13.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 62.36 38.73 12.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.914 0.388 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.781 HG21 ' O ' ' B' ' 65' ' ' GLY . 0.2 OUTLIER -114.69 142.66 28.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . 0.65 ' HD2' HG22 ' B' ' 88' ' ' THR . 57.9 Cg_endo -71.69 144.05 43.31 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.442 2.095 . . . . 0.0 112.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.4 113.68 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' TRP . . . . . 0.43 ' CZ3' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -95.21 18.45 12.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.237 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.474 HD13 ' O ' ' B' ' 62' ' ' CYS . 1.8 pt -127.0 92.47 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.29 -29.55 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.08 -177.15 3.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.431 ' HG ' HG21 ' B' ' 61' ' ' VAL . 6.5 tp -100.99 80.91 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.781 ' O ' HG13 ' B' ' 61' ' ' VAL . 8.8 mttt -63.65 176.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.487 HD13 ' O ' ' B' ' 96' ' ' LYS . 24.1 mm -131.72 134.32 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.112 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -82.14 90.68 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -58.96 -39.28 81.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.519 HE21 HG23 ' A' ' 21' ' ' ILE . 18.3 mm100 -69.18 -56.43 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.608 ' CD1' HG21 ' B' ' 69' ' ' ILE . 13.4 mt -60.23 -36.78 78.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.629 ' HA ' HD12 ' B' ' 105' ' ' ILE . 31.3 t0 -56.83 -60.48 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.624 ' O ' HD23 ' B' ' 107' ' ' LEU . 3.1 m -60.63 -31.29 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.74 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.62 ' HG3' HD21 ' B' ' 48' ' ' LEU . 30.2 tpp -60.31 -38.15 82.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.782 HG21 ' O ' ' B' ' 57' ' ' LEU . 5.6 mt -66.22 -44.51 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -30.69 68.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.873 HD13 ' HE2' ' B' ' 110' ' ' LYS . 3.9 mm? -66.96 -44.18 81.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 52.5 t -59.21 -36.02 74.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.796 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 36.5 m -66.98 -32.05 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.781 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.873 ' HE2' HD13 ' B' ' 107' ' ' LEU . 23.4 mtmt -60.7 -48.94 79.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.732 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' B' ' 114' ' ' LEU . 1.4 mp -59.86 -35.6 75.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -59.68 -39.09 83.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -74.95 -40.78 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' B' ' 111' ' ' LEU . 4.5 mt -69.47 -31.25 69.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.535 HD12 ' O ' ' B' ' 111' ' ' LEU . 7.4 mt -75.92 -55.13 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -73.22 -31.33 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 60.93 157.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -104.7 123.0 46.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -167.08 165.59 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 13.2 mt -144.35 177.24 8.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 46.2 m -82.18 178.19 8.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.899 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_